data_2crw_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 2crw _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 ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.608 0.718 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.555 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.7 133.07 24.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -78.12 173.17 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.019 0.438 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -51.0 -61.94 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -40.22 -65.59 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.07 -50.93 8.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 76' ' ' SER . 74.4 mt -57.64 -39.56 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.1 mt -67.58 -29.87 69.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -70.29 -34.93 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.7 mt -76.22 -24.99 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CZ ' HG21 ' A' ' 72' ' ' THR . 16.2 m-85 -90.22 -29.6 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -65.67 -28.35 69.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.86 -41.77 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 23' ' ' LEU . 7.6 mp -72.55 -44.42 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mtp-105 -57.12 -44.64 83.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -38.7 -47.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.499 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 2.7 t -55.66 136.82 71.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.499 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.6 Cg_endo -69.76 -28.17 25.59 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -85.55 -9.21 57.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' CG ' ' HB ' ' A' ' 26' ' ' VAL . 13.7 m-20 -102.82 -30.11 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -79.46 13.68 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' CYS . 16.7 m -137.35 118.08 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' VAL . 28.7 t -35.2 106.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.577 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -48.2 -21.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -75.58 -70.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.8 p -97.39 -43.31 7.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 122.33 7.1 7.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.15 124.66 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -67.99 147.94 51.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 8.0 m120 59.77 48.79 2.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.71 80.59 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.376 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -44.23 -62.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -49.16 139.43 10.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.4 137.71 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -103.43 106.16 16.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.459 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.3 mt -60.22 -44.05 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.403 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 0.3 OUTLIER -41.57 -58.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -100.54 12.63 36.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.95 49.24 4.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 m -124.55 165.31 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -102.18 133.06 47.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -128.82 170.8 12.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ASP . 24.4 p -116.92 148.31 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 52' ' ' CYS . 5.1 tp -33.23 -34.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' CYS . 9.2 t70 -67.07 -67.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.1 m -63.42 -55.08 27.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' CYS . 82.3 p -33.45 -36.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.94 -48.36 82.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.2 m -52.27 -49.9 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 110.838 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 9.3 m-70 -54.96 -48.82 72.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -51.2 -38.6 53.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 t -62.22 -47.06 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.7 mt -47.81 -47.14 31.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 131.6 126.33 2.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.535 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -38.79 -31.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.456 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 28.6 p-80 -68.44 -43.19 77.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' GLY . 2.1 tt -70.73 -47.72 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -153.36 105.13 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -78.0 134.25 37.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 mm -113.9 136.93 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -147.91 127.91 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -69.5 173.99 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.498 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 67.6 p -118.22 -30.56 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.213 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.72 -36.65 23.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.88 -67.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.85 114.64 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.8 p -117.48 -21.75 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -76.34 50.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.459 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 8.3 m95 -79.14 156.18 28.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' TRP . 20.3 m -102.32 127.89 49.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.555 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 82.1 m95 -33.88 -59.29 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -48.8 -47.12 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.485 ' O ' ' C ' ' A' ' 83' ' ' LEU . 87.3 mt-30 -60.11 -67.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 82' ' ' GLN . 5.2 mt -30.64 -56.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 87' ' ' GLN . 71.3 mmt-85 -52.84 -49.21 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 82' ' ' GLN . 75.9 m -37.09 -35.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.5 mmm -70.84 -43.51 68.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ARG . 6.7 mt-30 -71.77 -36.84 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.44 ' CG2' ' HA ' ' A' ' 85' ' ' CYS . 21.7 m -84.04 26.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.93 -92.91 0.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.8 159.64 34.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.471 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -66.01 -68.38 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -42.0 -49.59 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 92' ' ' ALA . 1.9 m -37.88 -47.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.99 -48.68 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 t -39.55 -39.07 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 97' ' ' PHE . 3.6 m -92.15 -56.72 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.5 t80 -34.87 -48.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 117' ' ' ALA . 17.8 m-85 -57.96 -66.63 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -44.58 -50.22 9.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.0 m . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.859 0.361 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 1.1 t30 -77.72 -5.57 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.01 -57.69 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -47.92 -40.42 21.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.422 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 45.1 m-85 -83.04 -26.4 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 25.4 m-80 -89.5 19.52 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.6 p -105.29 163.05 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -55.15 -56.62 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.92 -49.98 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 98' ' ' PHE . . . -57.11 -55.5 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.45 -59.1 3.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.2 mt -38.96 -44.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 121' ' ' ARG . 34.6 t80 -57.63 -66.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 120' ' ' TYR . 12.1 mtm180 -35.26 -65.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -43.82 -52.86 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -49.39 -52.94 25.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.8 mm -48.16 -46.49 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -55.32 -44.87 76.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.9 t -59.59 -68.58 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 130' ' ' GLN . 14.6 mt -45.97 -53.26 10.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -37.16 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 127' ' ' LEU . 46.0 p -68.47 -47.14 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 127' ' ' LEU . 68.8 mt-30 -48.9 -41.47 33.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.3 -42.77 16.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.4 m -61.23 -63.56 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.615 0.722 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.521 ' HB3' ' CE2' ' A' ' 80' ' ' TRP . 52.9 Cg_endo -69.8 118.85 5.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 m -63.02 167.7 4.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -47.86 -58.71 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -44.47 -62.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -46.02 -52.45 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.405 ' CD1' ' O ' ' A' ' 76' ' ' SER . 77.1 mt -51.66 -40.77 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.069 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.33 -28.07 69.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.8 m -68.86 -31.7 70.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -78.78 -28.57 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -85.3 -43.36 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -47.29 -34.98 7.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -66.88 -41.24 87.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD23 ' ND2' ' A' ' 29' ' ' ASN . 34.0 mt -78.64 -57.06 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 10.0 mtp-105 -42.9 -51.24 5.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.2 p -40.28 -35.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 5.3 t -74.7 135.19 74.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.4 Cg_endo -69.82 1.57 4.35 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -106.3 -16.11 14.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.46 ' ND2' HD23 ' A' ' 23' ' ' LEU . 77.8 m-20 -105.48 -28.13 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -75.68 7.18 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' CYS . 21.2 m -136.23 119.97 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.6 t -35.28 112.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -50.71 -26.77 5.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -70.76 -71.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.3 p -97.03 -49.42 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.55 13.57 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.1 124.2 14.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -64.0 139.43 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.473 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 43.5 t30 64.39 52.66 1.23 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.81 80.23 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -40.36 -68.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -48.94 143.39 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.31 127.83 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.4 t -86.61 119.88 27.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' THR . 23.1 mt -73.92 -56.22 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ILE . 43.6 m -34.71 -43.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.8 -27.38 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.48 37.3 27.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.4 m -118.98 174.64 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.52 140.41 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.0 mt -136.66 169.4 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.5 p -115.4 147.61 40.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.8 tp -32.8 -38.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' CYS . 3.8 m-20 -64.81 -67.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 56' ' ' SER . 67.9 m -62.35 -54.94 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.7 p -33.03 -40.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.79 -47.74 83.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . 2.7 m -52.58 -41.82 63.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.466 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 6.6 m-70 -65.56 -46.24 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -49.39 -34.28 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -67.26 -44.94 78.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.4 mt -44.62 -56.75 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 141.2 127.84 2.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 65' ' ' HIS . 27.1 m -41.67 -25.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 111.173 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.465 ' N ' HG22 ' A' ' 64' ' ' VAL . 32.4 p-80 -78.37 -38.71 41.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' GLY . 1.7 tt -76.17 -40.92 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -159.58 108.17 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -86.16 132.47 34.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 mm -108.53 149.34 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -165.14 122.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -61.61 178.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -117.91 -41.07 2.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.87 -43.05 25.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.79 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -77.79 -64.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -62.44 129.61 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 5.5 p -128.09 -25.92 2.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -77.41 46.83 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -71.74 174.96 6.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' TRP . 67.9 m -115.97 121.13 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.521 ' CE2' ' HB3' ' A' ' 11' ' ' PRO . 16.9 m95 -34.56 -37.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -71.38 -51.54 23.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' SER . 89.7 mt-30 -56.67 -37.59 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.64 -54.86 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.9 mmt-85 -54.8 -39.74 68.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.412 ' HB3' ' CG2' ' A' ' 124' ' ' ILE . 74.6 m -48.51 -36.01 14.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 81.1 mmm -64.92 -40.6 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.438 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 22.2 mt-30 -72.63 -63.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 35.7 m -41.96 -30.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -102.38 -109.08 3.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 100.95 155.16 27.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.447 ' ND2' ' HB2' ' A' ' 33' ' ' PHE . 1.8 m-20 -45.64 -68.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -34.94 -63.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -29.81 -64.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.73 79.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -38.92 -33.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' PHE . 11.9 t -106.15 -51.07 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' SER . 10.5 t80 -32.61 -46.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -61.63 -59.34 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -57.76 -55.04 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.87 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.835 0.35 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 23.1 t-20 -77.38 -8.36 57.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.58 -55.1 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -50.67 -46.87 58.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.466 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 52.8 m-85 -76.38 -23.62 54.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 10.9 m-80 -88.37 20.48 3.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.3 p -101.73 169.89 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -64.53 -49.78 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.12 -43.21 30.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.02 -52.98 61.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -49.48 -62.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.7 mt -42.51 -40.47 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 121' ' ' ARG . 41.9 t80 -61.41 -62.44 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 120' ' ' TYR . 42.1 mtm180 -37.22 -66.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -48.4 -51.46 26.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -43.78 22.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.412 ' CG2' ' HB3' ' A' ' 85' ' ' CYS . 26.4 mm -56.78 -44.04 80.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -61.63 -37.4 83.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 t -66.89 -54.89 17.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 47.1 mt -57.82 -61.27 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.01 -45.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.4 t -51.68 -39.69 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -60.02 -56.25 23.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.0 73.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.7 m -69.79 -49.36 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.6 ptt85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.574 0.702 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.5 Cg_endo -69.84 125.87 12.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.592 2.195 . . . . 0.0 112.38 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 m -79.7 174.08 11.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -48.93 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -42.35 -62.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -49.97 -54.71 18.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 76' ' ' SER . 65.0 mt -48.43 -33.39 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -73.95 -32.01 63.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 m -57.35 -28.84 63.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mp -87.02 -40.44 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CZ ' ' CG2' ' A' ' 72' ' ' THR . 12.4 m-85 -71.6 -27.47 63.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -61.98 -40.18 94.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -68.87 -33.58 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' N ' HD13 ' A' ' 23' ' ' LEU . 10.7 mp -81.58 -63.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LEU . 43.6 mtp180 -38.18 -51.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.451 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 24.8 p -39.88 -50.18 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -55.15 130.49 68.31 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.685 0.755 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -2.21 9.74 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -104.45 -11.8 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -107.38 -25.3 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' NZ ' ' O ' ' A' ' 25' ' ' SER . 15.3 ptpt -78.19 10.59 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' CYS . 5.3 m -135.27 120.9 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 36' ' ' GLY . 29.3 t -37.57 104.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.606 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.99 -22.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -74.02 -71.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.6 p -96.49 -45.15 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 123.68 9.28 5.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.427 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.32 128.83 29.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -71.11 146.93 48.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.508 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.7 m-20 60.96 50.38 2.06 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.75 80.51 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 p -42.23 -68.03 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 53' ' ' ILE . 85.5 m95 -46.8 143.37 2.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.47 133.82 19.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 t -96.22 113.68 25.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.7 mt -69.64 -44.57 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.188 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.477 HG22 ' CD1' ' A' ' 47' ' ' TYR . 32.1 m -47.85 -46.59 31.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.477 ' CD1' HG22 ' A' ' 46' ' ' THR . 60.1 m-85 -104.68 10.84 34.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.98 44.5 2.77 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.04 169.98 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -107.13 145.86 31.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 59' ' ' HIS . 21.0 mt -142.51 165.78 26.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.8 p -106.75 148.73 28.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.503 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.4 tp -33.91 -33.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' CYS . 13.7 t70 -69.0 -72.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 56' ' ' SER . 85.9 m -55.12 -55.59 29.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' CYS . 61.7 p -32.57 -37.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.6 -50.04 62.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.2 m -51.38 -42.04 61.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.446 ' CD2' HD12 ' A' ' 51' ' ' LEU . 12.7 m-70 -64.4 -46.36 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -55.31 -35.81 65.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -67.15 -53.71 28.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -40.03 -51.61 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.541 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.71 124.5 2.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -38.6 -29.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.541 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 36.9 p-80 -68.82 -45.17 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -67.11 -44.61 79.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.401 ' OG ' ' CE1' ' A' ' 47' ' ' TYR . 1.8 m -156.48 109.8 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -81.92 129.2 34.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 mm -108.72 138.43 35.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -144.28 148.48 34.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.42 132.41 39.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.638 ' CG2' ' CZ ' ' A' ' 20' ' ' PHE . 60.4 p -77.62 -46.41 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.69 -73.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.9 mt -42.75 -66.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.84 137.86 37.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.5 p -129.01 -8.2 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -86.7 50.54 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -73.89 -177.73 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' GLN . 9.6 m -124.89 129.02 49.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.439 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 39.5 m95 -39.13 -50.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -57.32 -37.96 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' SER . 84.1 mt-30 -73.98 -26.57 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.68 -52.23 47.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' CD ' ' HB2' ' A' ' 131' ' ' ALA . 22.2 mmt-85 -63.03 -34.75 78.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.7 m -50.27 -30.88 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 89.4 mmm -73.99 -46.0 46.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -64.84 -61.33 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.1 m -49.44 -18.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.65 -116.28 4.17 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.34 160.05 13.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.459 ' ND2' ' HB2' ' A' ' 33' ' ' PHE . 4.7 m-20 -63.07 -57.9 9.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -55.6 -49.68 72.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 92' ' ' ALA . 13.7 m -34.25 -53.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.36 -47.37 56.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' ALA . 30.0 t -35.61 -39.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 97' ' ' PHE . 72.0 m -90.94 -58.05 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.5 t80 -34.21 -54.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -49.25 -54.04 18.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.4 t-160 -62.49 -55.17 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 99' ' ' HIS . 11.5 mm100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.835 0.35 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -77.96 -7.74 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.31 -59.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -45.03 -38.99 5.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.409 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 47.1 m-85 -84.36 -28.63 26.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.2 m-80 -85.7 21.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.1 p -101.61 173.47 6.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -69.99 -47.16 63.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.11 -43.95 61.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.41 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' LEU . 20.6 mt-30 -52.68 -62.58 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' GLN . 67.8 mt -37.48 -43.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -58.73 -58.76 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 23.0 mtm180 -41.23 -65.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -47.0 -51.26 17.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -47.66 -50.82 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 34.3 mm -50.39 -39.39 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -58.78 -51.9 68.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.9 m -57.97 -51.34 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 130' ' ' GLN . 29.6 mt -60.17 -63.69 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -35.19 -38.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m -61.96 -45.23 94.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -51.57 -36.46 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.482 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -84.79 -33.66 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.5 m -71.55 -66.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.481 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.75 126.88 13.83 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.283 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -65.89 169.77 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -53.2 -58.22 7.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -44.7 -60.62 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -44.88 -52.12 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 76' ' ' SER . 69.6 mt -51.12 -55.68 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 18' ' ' THR . 95.7 mt -40.06 -67.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' LEU . 4.1 m -36.99 -67.46 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.476 HG22 ' NE2' ' A' ' 87' ' ' GLN . 63.6 mt -37.15 -36.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 72' ' ' THR . 12.1 m-85 -82.16 -60.65 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' PHE . 6.1 pttp -36.93 -39.34 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -60.69 -44.22 96.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' PHE . 67.1 mt -76.85 -44.19 33.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' SER . 38.8 mtp180 -49.24 -49.44 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -35.9 -51.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 t -48.99 131.41 15.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.689 0.757 . . . . 0.0 111.085 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 4.23 2.29 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.7 p -113.75 -16.33 12.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -100.22 -26.25 13.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -76.68 7.99 4.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' CYS . 20.0 m -136.27 121.94 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' VAL . 8.2 t -37.04 105.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -44.78 -30.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.46 -72.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.3 p -98.5 -48.89 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 128.26 12.54 2.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 116.53 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -59.67 143.11 51.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.478 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.8 m-20 63.05 52.12 1.55 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.1 Cg_endo -69.88 79.98 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -40.73 -67.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.424 ' CZ2' HD13 ' A' ' 53' ' ' ILE . 76.1 m95 -48.89 147.42 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.18 124.68 8.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -89.58 113.25 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.45 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.5 mt -64.71 -49.59 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -36.36 -63.45 0.39 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -91.38 5.0 51.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.31 55.48 7.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 m -135.41 168.6 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.084 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -101.79 143.85 31.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.1 mt -140.27 168.47 19.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' ILE . 30.5 p -111.67 147.7 34.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.9 tp -34.62 -36.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' CYS . 2.2 m-20 -66.28 -58.09 6.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.79 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' GLY . 79.0 m -69.12 -54.19 16.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 55' ' ' CYS . 57.8 p -33.38 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.98 -48.89 79.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -50.18 -40.72 47.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 -179.752 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.46 ' NE2' ' CZ ' ' A' ' 112' ' ' TYR . 20.5 m-70 -69.56 -44.0 71.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -53.33 -38.06 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -66.14 -46.12 78.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 98.4 mt -44.94 -55.9 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.86 127.49 2.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 65' ' ' HIS . 29.7 m -41.53 -28.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.497 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 37.5 p-80 -73.47 -42.28 62.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' GLY . 1.1 tt -72.25 -46.41 56.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -152.67 104.93 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.94 133.7 36.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.1 mm -107.79 145.13 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -159.07 126.68 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.03 174.08 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.567 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 79.9 p -115.78 -39.8 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.95 -40.95 27.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.6 mt -82.63 -66.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.34 126.7 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 4.1 p -127.05 -21.49 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -81.99 48.53 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.45 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 7.1 m95 -73.14 178.35 4.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 80' ' ' TRP . 70.4 m -122.65 124.12 42.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.481 ' CZ2' ' HB3' ' A' ' 11' ' ' PRO . 30.8 m95 -33.82 -43.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -65.6 -51.23 61.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 79' ' ' SER . 15.0 mt-30 -58.43 -34.84 71.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.89 -62.05 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' GLN . 16.8 mmt-85 -43.88 -47.77 8.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.1 m -39.04 -42.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.412 ' C ' HD13 ' A' ' 23' ' ' LEU . 79.3 mmm -65.91 -39.86 90.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.476 ' NE2' HG22 ' A' ' 19' ' ' ILE . 16.2 mm-40 -68.17 -60.64 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.425 HG11 ' C ' ' A' ' 127' ' ' LEU . 24.0 m -51.82 -28.56 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.7 -138.95 10.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.83 160.27 8.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.432 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -54.49 -52.57 61.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -60.46 -49.76 76.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' ALA . 3.4 m -36.23 -50.06 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -74.21 -50.32 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 t -38.18 -42.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -86.77 -47.57 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.88 -56.85 4.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -50.71 -62.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.58 -51.52 20.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 98.7 m . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.803 0.335 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.478 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 24.7 t-20 -74.91 -8.07 55.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.24 -58.56 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.024 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -47.77 -41.51 23.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.46 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 46.5 m-85 -80.79 -30.61 35.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.5 m-80 -87.64 27.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.9 p -111.5 172.68 6.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -64.28 -54.97 24.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.02 -43.45 14.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.95 -54.01 45.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -51.69 -62.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.5 mt -37.01 -42.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 121' ' ' ARG . 22.3 t80 -57.82 -64.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 120' ' ' TYR . 13.3 mtm105 -36.99 -62.72 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -44.48 -51.71 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -49.22 -52.79 24.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 45.4 mm -49.64 -42.71 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.56 -46.15 87.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 t -58.6 -51.29 70.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.425 ' C ' HG11 ' A' ' 88' ' ' VAL . 21.5 mt -66.33 -54.82 20.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.32 -40.74 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 t -58.99 -39.23 81.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 127' ' ' LEU . 43.1 mt-30 -59.51 -59.47 5.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.458 ' O ' ' NE ' ' A' ' 84' ' ' ARG . . . -61.51 -27.13 68.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.2 m -72.73 -60.39 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.6 ptt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 121.606 0.717 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.574 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.78 138.89 38.84 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.695 2.263 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.75 173.91 8.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -49.86 -40.57 42.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -65.54 -39.37 91.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.83 -43.09 76.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.1 mt -62.12 -35.09 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.88 -31.24 70.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.6 m -68.06 -37.48 81.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.72 -25.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -87.54 -33.4 18.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -53.06 -35.83 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 tpt85 -78.13 -24.49 47.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.465 HD12 ' ND2' ' A' ' 29' ' ' ASN . 0.6 OUTLIER -78.8 -64.2 1.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 35.4 mtp180 -44.37 -41.3 6.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 t -40.38 -52.47 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 2.3 t -56.24 136.55 75.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.584 0.707 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.484 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.5 Cg_endo -69.81 -10.09 27.68 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.487 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 51.1 p -101.59 -12.26 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.465 ' ND2' HD12 ' A' ' 23' ' ' LEU . 64.8 m-20 -99.78 -32.1 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' CE ' ' O ' ' A' ' 24' ' ' ARG . 16.3 ptpt -74.19 5.52 4.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 m -135.41 128.42 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' GLY . 29.5 t -43.36 105.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -47.17 -24.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.07 -71.23 0.29 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.0 p -96.35 -44.79 7.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 122.29 9.8 6.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.492 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.17 126.75 26.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.402 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -68.55 145.84 53.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.7 t-20 63.01 52.65 1.65 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.4 Cg_endo -69.9 80.17 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.623 2.215 . . . . 0.0 112.318 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 p -40.25 -66.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.811 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 62.2 m95 -52.62 151.21 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.63 126.55 6.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.06 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -86.75 115.39 24.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.562 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 17.6 mt -69.68 -43.53 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.459 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 69.2 m -46.09 -53.97 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -96.79 4.0 51.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.45 44.35 21.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.94 169.28 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -106.56 136.6 46.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -134.26 171.63 13.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' ILE . 22.7 p -116.01 149.23 39.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.3 tp -31.09 -46.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.205 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -58.97 -68.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLY . 72.0 m -58.71 -58.01 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' CYS . 58.4 p -33.47 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.32 -48.49 80.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.2 m -51.08 -48.78 61.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.493 ' NE2' ' CZ ' ' A' ' 112' ' ' TYR . 23.8 m-70 -59.12 -44.83 92.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.426 ' CG ' HG13 ' A' ' 69' ' ' ILE . 68.9 mtp180 -55.31 -37.03 66.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 t -62.99 -50.49 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -45.18 -64.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.421 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 150.73 129.49 1.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -41.95 -27.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.421 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 54.9 p-80 -68.47 -47.94 65.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 65' ' ' HIS . 2.6 tt -70.07 -42.74 72.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -155.98 117.44 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -91.4 139.3 30.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.5 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 1.4 mm -114.41 154.98 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 9.5 mtp180 -167.87 131.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.5 m -78.14 156.59 29.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.8 p -98.42 -39.93 8.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.17 -52.75 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -73.15 -57.35 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.37 108.99 16.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.7 m -119.13 35.44 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -116.88 34.14 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.562 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 12.5 m95 -69.06 161.96 27.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.33 151.88 26.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.574 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 61.1 m95 -46.14 -40.73 11.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -71.0 -58.79 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -55.32 -14.99 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.2 mt -81.35 -57.34 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -59.9 -24.61 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.496 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 66.3 m -59.5 -31.58 69.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 84.3 mmm -70.09 -35.26 74.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -75.84 -64.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.446 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 22.2 m -43.65 -23.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.41 -114.14 3.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.29 164.41 15.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.42 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 28' ' ' THR . 2.0 m-20 -68.3 -56.13 9.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -54.63 -51.2 66.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ALA . 61.2 m -34.71 -53.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.18 -54.52 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.6 t -35.46 -36.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.1 m -94.62 -51.71 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -39.09 -55.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -47.89 -60.29 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -53.9 -55.21 28.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.411 HG23 ' CD2' ' A' ' 112' ' ' TYR . 97.2 m . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.763 0.316 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -84.65 1.79 44.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.28 -46.02 2.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -56.75 -45.08 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.493 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 23.0 m-85 -81.14 -22.29 39.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -89.94 17.95 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.1 p -103.6 159.34 15.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -54.28 -59.7 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -38.17 -52.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.1 -53.16 54.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 119' ' ' LEU . 24.1 mt-30 -52.2 -61.86 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 118' ' ' GLN . 62.7 mt -36.42 -40.27 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 121' ' ' ARG . 39.2 t80 -62.6 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 20.2 mtm180 -35.59 -64.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -45.89 -52.09 12.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -50.76 -51.92 45.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.403 ' CG1' ' CE1' ' A' ' 120' ' ' TYR . 24.5 mm -44.02 -40.23 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -68.33 -42.01 79.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -61.34 -41.61 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 130' ' ' GLN . 24.6 mt -78.2 -55.78 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.496 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -39.82 -31.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.9 p -72.35 -39.94 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -53.95 -35.33 61.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.483 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -88.59 -32.36 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.1 m -74.02 -64.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.71 132.75 24.07 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.786 2.324 . . . . 0.0 112.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m -80.57 177.41 9.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.971 0.415 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -55.15 -57.63 10.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -44.81 -53.12 7.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.59 -51.72 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.3 mt -57.42 -34.39 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.57 -41.78 92.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -64.84 -59.89 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.573 ' CG2' ' NE2' ' A' ' 87' ' ' GLN . 95.8 mt -41.93 -38.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE1' HG23 ' A' ' 72' ' ' THR . 14.1 m-85 -80.18 -60.98 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 22' ' ' ARG . 9.3 pttp -35.97 -46.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 21' ' ' LYS . 24.3 ttt85 -53.79 -45.15 70.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' PHE . 86.7 mt -76.3 -38.33 56.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -53.0 -49.78 65.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -38.85 -42.11 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.505 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 3.9 t -59.67 137.19 89.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.694 0.759 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.505 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.4 Cg_endo -69.89 -32.21 18.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.308 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -82.65 -6.36 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -106.75 -31.31 8.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -78.19 11.56 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.5 m -133.9 125.86 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLY . 11.7 t -44.17 110.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.21 -28.98 2.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.08 -71.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 p -97.5 -47.04 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 121.96 13.12 5.1 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.25 128.17 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -68.09 142.83 55.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.483 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 9.8 m120 61.73 51.73 2.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.4 Cg_endo -69.78 80.04 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.228 . . . . 0.0 112.43 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 p -40.69 -65.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -50.89 145.39 7.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.89 124.18 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.085 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -83.45 119.43 24.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.564 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 23.4 mt -77.25 -46.69 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 26.6 m -50.03 -42.05 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' CZ ' ' HD3' ' A' ' 121' ' ' ARG . 54.0 m-85 -105.3 12.56 31.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.57 54.33 1.05 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.15 157.36 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -92.3 142.95 26.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -139.29 168.85 18.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.4 p -114.0 146.96 39.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.1 tp -32.39 -40.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' N ' HG21 ' A' ' 53' ' ' ILE . 5.9 t70 -61.7 -69.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.1 m -58.3 -55.89 29.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' CYS . 53.6 p -33.95 -33.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.77 -48.65 80.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -52.05 -47.15 65.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.92 0.39 . . . . 0.0 110.892 -179.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.461 ' NE2' ' CZ ' ' A' ' 112' ' ' TYR . 19.4 m-70 -58.68 -47.87 83.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -53.5 -38.6 63.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.1 m -60.73 -47.67 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.9 mt -48.91 -55.71 10.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.472 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 141.32 125.12 2.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -36.55 -34.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.472 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 51.0 p-80 -64.22 -46.44 83.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -67.75 -49.48 62.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.88 105.48 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -78.45 131.31 36.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.8 mm -111.03 136.55 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -147.96 129.29 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 t -69.71 162.52 27.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.559 HG23 ' CE1' ' A' ' 20' ' ' PHE . 66.4 p -103.52 -27.82 12.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -104.79 -45.77 4.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.47 37.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -171.22 115.93 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -119.69 35.48 4.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -121.78 40.03 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.564 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.7 m95 -81.92 146.53 29.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' TRP . 12.1 p -97.99 138.94 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.571 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 94.8 m95 -36.43 -41.69 0.3 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -66.63 -61.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -49.94 -32.45 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 19' ' ' ILE . 12.9 mt -65.41 -67.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.43 ' NH1' HD13 ' A' ' 19' ' ' ILE . 45.3 mmt-85 -49.2 -40.1 32.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 82.3 m -45.12 -23.06 0.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 77.9 mmm -86.83 -40.94 14.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.573 ' NE2' ' CG2' ' A' ' 19' ' ' ILE . 89.8 mt-30 -73.02 -26.13 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.6 m -91.47 19.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -135.11 -96.11 0.51 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.07 163.87 26.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.19 -70.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -40.64 -50.2 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ALA . 5.3 m -34.11 -50.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -74.82 -51.55 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 94' ' ' ALA . 25.9 t -35.05 -37.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' PHE . 30.6 t -95.27 -54.91 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.4 t80 -34.45 -51.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -51.62 -50.94 59.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -65.81 -47.77 73.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.881 0.372 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.494 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 22.3 t-20 -81.97 -9.01 59.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.83 -54.67 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -47.71 -41.32 22.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.461 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 46.4 m-85 -83.27 -28.06 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 26.2 m-80 -87.15 20.63 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 p -101.06 171.19 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -67.15 -49.95 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.95 -42.56 48.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.74 76.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' LEU . 25.7 mt-30 -53.41 -60.36 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' GLN . 58.2 mt -36.82 -45.65 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 121' ' ' ARG . 18.6 t80 -57.21 -66.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.47 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 28.6 mtm180 -34.71 -64.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -46.96 -56.96 5.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -41.22 -56.97 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 30.9 mm -48.55 -36.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.38 -52.74 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.9 m -58.12 -65.28 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 130' ' ' GLN . 29.1 mt -47.82 -53.96 13.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.486 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -35.32 -33.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 127' ' ' LEU . 23.8 p -72.53 -45.23 60.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.8 pt20 -46.14 -26.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -103.83 -21.09 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.2 m -95.45 -61.13 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.541 0.686 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.543 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.68 136.67 33.82 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -79.43 162.35 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -45.19 -60.29 2.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -41.76 -56.89 2.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -52.1 -48.63 64.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.69 -34.27 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.66 -34.55 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -70.14 -37.66 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 83' ' ' LEU . 71.1 mt -67.66 -31.11 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -85.22 -47.97 9.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -36.94 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -64.77 -38.16 90.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.3 mt -81.25 -58.45 3.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 25' ' ' SER . 7.5 mtp-105 -39.27 -46.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' ARG . 35.7 t -37.13 -51.51 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.41 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 7.5 t -52.21 134.62 41.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.66 0.743 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.1 Cg_endo -69.68 5.95 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.3 p -115.34 -15.82 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -99.77 -28.14 13.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -75.6 6.08 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 m -134.77 127.63 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' GLY . 12.3 t -43.5 114.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -51.1 -30.39 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -66.94 -71.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.2 p -98.16 -48.11 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.44 9.41 4.5 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.427 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.01 121.89 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.09 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -65.85 143.97 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.456 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 94.6 m-20 62.14 53.51 2.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.71 82.27 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.38 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.49 -43.04 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -72.91 142.3 47.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.35 125.44 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 t -89.25 114.06 25.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.486 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -66.44 -43.54 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.555 HG23 ' CD1' ' A' ' 47' ' ' TYR . 29.9 m -41.98 -54.95 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CD1' HG23 ' A' ' 46' ' ' THR . 57.0 m-85 -100.19 7.57 44.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.37 45.76 16.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 m -124.83 164.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -101.6 131.96 47.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -125.45 175.71 7.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.1 p -119.44 151.19 38.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.5 tp -34.22 -41.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.422 ' N ' HG22 ' A' ' 53' ' ' ILE . 2.5 m-20 -63.95 -74.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 56' ' ' SER . 76.8 m -51.16 -57.19 9.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' CYS . 69.3 p -31.56 -40.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.49 -49.82 59.28 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.3 m -51.38 -40.24 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.881 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -67.71 -43.35 80.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -53.63 -34.21 57.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.5 m -68.37 -50.7 51.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.9 mt -42.09 -49.07 4.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 130.39 127.96 2.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -38.7 -35.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -64.5 -43.93 92.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 63' ' ' GLY . 2.4 tt -71.53 -43.0 67.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -157.96 112.87 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -86.49 132.61 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 mm -107.51 133.89 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -146.85 127.7 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 m -68.89 -177.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.9 p -125.39 -38.32 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -79.94 -37.21 35.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mp -91.73 -62.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.96 112.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 p -112.48 -22.69 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -76.01 53.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.486 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.3 m95 -85.74 134.31 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 80' ' ' TRP . 53.3 p -81.67 129.87 34.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.543 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 70.9 m95 -32.93 -39.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 128' ' ' ALA . 44.2 t80 -68.17 -59.11 3.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -47.05 -39.96 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 19' ' ' ILE . 7.7 mt -57.32 -63.54 1.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 131' ' ' ALA . 50.4 mmt-85 -51.09 -46.42 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.8 m -39.2 -32.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 81.6 mmm -72.85 -46.2 54.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' ARG . 19.7 mt-30 -65.47 -59.85 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 26.8 m -45.96 -22.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.8 -121.19 4.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.26 159.87 10.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.429 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -61.55 -61.44 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -50.26 -51.6 43.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' ALA . 2.7 m -34.36 -53.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -70.72 -53.11 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 94' ' ' ALA . 21.5 t -34.87 -36.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' ALA . 50.7 m -96.62 -52.25 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' SER . 26.3 t80 -36.0 -56.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.791 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.502 ' CZ ' ' HE2' ' A' ' 111' ' ' LYS . 32.4 m-85 -45.98 -52.01 12.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.5 t-160 -67.97 -58.25 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 99' ' ' HIS . 80.1 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.0 m . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.82 0.343 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 21.1 t-20 -81.15 -10.43 59.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.77 -59.14 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.502 ' HE2' ' CZ ' ' A' ' 98' ' ' PHE . 55.9 tttt -45.09 -42.99 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -78.9 -31.45 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.1 m-80 -85.73 22.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 p -101.19 175.49 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -66.77 -53.32 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.811 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.21 -50.21 39.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.15 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -59.6 -59.36 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 68.4 mt -44.66 -33.91 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -64.83 -49.66 69.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.467 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 8.1 mtm105 -56.75 -58.7 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 7.6 pt-20 -49.93 -40.94 45.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' ' 122' ' ' GLU . 3.8 ttmm -60.31 -47.41 86.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 46.0 mm -54.89 -32.49 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -64.78 -53.24 50.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.1 t -58.45 -49.67 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 130' ' ' GLN . 11.2 mt -59.81 -59.4 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 81' ' ' PHE . . . -36.46 -31.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.7 m -68.31 -44.73 74.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.7 pt20 -51.84 -44.39 63.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.465 ' HB3' ' CG ' ' A' ' 84' ' ' ARG . . . -77.19 -40.11 46.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.4 m -63.66 -68.76 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.541 0.686 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.548 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.3 Cg_endo -69.7 120.84 7.57 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -77.87 164.11 25.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -41.7 -56.59 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -42.92 -62.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -51.57 -48.75 63.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.79 -35.4 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.74 -44.71 92.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' LYS . 49.4 m -56.8 -67.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.485 ' CG2' ' OE1' ' A' ' 87' ' ' GLN . 15.4 mt -39.36 -33.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CZ ' HG21 ' A' ' 72' ' ' THR . 9.0 m-85 -84.62 -34.76 23.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -63.17 -35.17 79.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -70.26 -40.15 74.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.3 mp -73.17 -59.24 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' SER . 31.1 mtp180 -40.83 -51.16 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' ARG . 32.4 t -38.07 -39.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 25.8 t -62.24 136.68 95.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.3 Cg_endo -69.8 12.97 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.456 ' H ' ' C ' ' A' ' 26' ' ' VAL . 32.3 p -123.96 -15.89 6.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -102.25 -22.27 14.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -79.97 7.01 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 15.9 m -137.9 127.87 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' GLY . 6.7 t -45.1 116.2 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -50.81 -33.33 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -63.77 -71.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.4 p -99.77 -47.27 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 123.56 12.33 4.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.16 120.01 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -59.29 143.34 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.4 m120 62.65 54.75 2.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.3 Cg_endo -69.82 79.92 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 p -42.21 -66.87 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.471 ' CZ2' HD13 ' A' ' 53' ' ' ILE . 70.8 m95 -51.91 149.07 5.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.1 126.58 10.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.148 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -92.24 111.01 22.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.557 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.1 mt -64.79 -42.54 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 m -39.2 -62.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -95.8 11.27 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.41 43.66 10.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.3 m -121.37 169.8 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -102.74 143.67 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.5 mt -138.16 166.99 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 29.0 p -112.45 146.6 38.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 54' ' ' ASP . 2.0 tp -31.93 -38.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.475 ' N ' HG22 ' A' ' 53' ' ' ILE . 2.0 t70 -66.26 -71.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 57' ' ' GLY . 80.5 m -53.12 -55.78 21.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' CYS . 55.4 p -32.98 -35.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.65 -49.47 65.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -49.49 -48.42 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.629 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 26.8 m-70 -60.63 -48.9 79.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 10.9 mtp-105 -52.59 -37.58 58.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 m -62.46 -48.14 80.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -48.5 -53.28 18.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 140.72 123.95 2.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 m -37.82 -28.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.553 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 23.6 p-80 -69.91 -45.45 67.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -67.83 -50.44 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 105.48 3.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -76.46 129.05 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -109.92 136.3 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -146.16 139.41 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.4 m -83.73 151.92 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.455 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 52.1 p -95.18 -51.3 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -73.35 -65.29 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.66 -62.04 1.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.67 125.21 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 m -128.39 30.86 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -117.37 40.48 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.557 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.6 m95 -72.71 171.15 13.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' TRP . 8.3 m -113.91 137.34 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.809 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.548 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 37.2 m95 -36.55 -55.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -56.41 -45.84 80.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -66.91 -27.3 67.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.408 ' HB3' ' CD1' ' A' ' 19' ' ' ILE . 1.3 mm? -66.9 -50.35 62.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 87' ' ' GLN . 10.1 mmt-85 -62.35 -40.98 98.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 91.1 m -38.2 -49.45 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.418 ' C ' HD21 ' A' ' 23' ' ' LEU . 64.4 mmm -62.76 -34.78 77.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 84' ' ' ARG . 9.3 mt-30 -73.46 -42.37 62.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.411 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 23.3 m -79.86 15.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.81 -104.3 0.66 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.36 162.47 37.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.475 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -56.73 -65.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.902 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -33.48 -63.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -31.17 -64.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.437 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -65.17 -45.48 84.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.0 t -38.65 -36.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.792 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 97' ' ' PHE . 66.7 m -102.06 -48.56 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 96' ' ' SER . 11.5 t80 -35.3 -53.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -55.08 -61.62 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -48.34 -54.21 14.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.805 0.336 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 12.9 t-20 -75.77 -8.16 56.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.12 -49.84 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.476 ' NZ ' ' CE1' ' A' ' 112' ' ' TYR . 17.9 tttm -50.95 -43.96 60.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.629 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 50.9 m-85 -81.39 -25.79 35.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 30.2 m-80 -88.72 22.09 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 p -105.26 172.91 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -65.61 -56.2 13.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.79 -51.18 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.27 75.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.0 -58.75 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.1 mt -41.16 -36.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 121' ' ' ARG . 21.7 t80 -65.26 -63.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 120' ' ' TYR . 14.1 mtm105 -33.9 -63.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -45.83 -57.98 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -41.22 -54.12 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.3 mm -44.66 -48.1 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -50.85 -57.95 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.0 t -51.06 -65.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.411 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 18.3 mt -51.38 -34.32 33.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.16 90.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 94.2 p -58.58 -37.91 76.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -50.95 -72.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.06 -50.21 20.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -58.7 -75.68 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.6 ttm105 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.0 Cg_endo -69.75 153.33 69.1 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.669 2.246 . . . . 0.0 112.408 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.6 m -90.4 168.23 12.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -52.12 -55.77 18.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -50.12 -53.29 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.36 -48.61 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.5 mt -61.49 -43.2 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -48.58 -37.63 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' ILE . 1.5 m -64.55 -67.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.49 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 3.4 mp -33.27 -38.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.506 ' CZ ' HG21 ' A' ' 72' ' ' THR . 26.3 m-85 -82.44 -55.28 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -42.36 -40.33 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 3.7 tpm_? -61.15 -39.48 90.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.802 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 24' ' ' ARG . 53.6 mt -83.24 -59.34 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 23' ' ' LEU . 67.7 mtp180 -34.95 -48.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.0 p -39.3 -47.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 8.6 t -57.53 135.96 82.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.455 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.9 Cg_endo -69.78 3.91 2.51 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.728 2.285 . . . . 0.0 112.36 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 80.4 p -114.66 -4.49 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -113.47 -22.88 10.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -82.37 9.31 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 m -134.62 117.43 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' GLY . 3.0 t -37.48 116.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -49.33 -34.69 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.22 -69.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.3 p -103.69 -46.75 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.19 11.25 3.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.47 127.32 9.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -68.1 139.38 56.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.492 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 71.5 m-80 62.8 51.63 1.58 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.0 Cg_endo -69.85 79.67 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -43.21 -63.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -51.71 145.79 8.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.59 135.28 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 5.0 t -92.06 99.35 12.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.516 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 14.7 mt -50.65 -51.11 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 121' ' ' ARG . 74.8 m -39.72 -60.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -92.4 4.5 53.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.976 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' SER . . . 46.46 40.86 11.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 m -115.07 165.54 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -100.6 132.97 45.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' A' ' 59' ' ' HIS . 42.6 mt -129.05 164.54 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 53' ' ' ILE . 29.9 p -109.56 151.38 26.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.1 tp -32.07 -48.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.87 -71.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 56' ' ' SER . 61.8 m -53.52 -58.78 5.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' CYS . 85.0 p -33.75 -37.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.3 -48.35 64.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -52.43 -50.22 63.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.915 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.602 ' NE2' ' CE2' ' A' ' 112' ' ' TYR . 14.4 m-70 -57.51 -41.64 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.416 ' CG ' HG13 ' A' ' 69' ' ' ILE . 70.8 mtp180 -54.75 -37.93 66.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.7 t -68.43 -41.21 80.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.2 mt -44.3 -56.31 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 142.46 127.84 2.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -38.26 -31.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -75.48 -43.4 49.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.7 OUTLIER -66.9 -49.15 66.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.1 m -155.45 104.99 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -82.99 128.42 34.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 1.3 mm -106.65 152.65 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 21.3 mtt-85 -165.51 122.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 m -55.56 154.06 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.506 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 17.9 p -105.48 -38.79 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -81.35 -43.46 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.1 mt -81.97 -70.57 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.96 124.13 19.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.7 m -127.43 32.63 4.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.55 40.52 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.516 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 7.2 m95 -71.55 157.16 38.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -96.48 138.79 33.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.552 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 66.8 m95 -41.82 -49.11 4.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -65.81 -46.91 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -61.72 -18.66 60.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.5 mt -78.53 -61.92 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -49.45 -33.82 15.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 70.7 m -52.99 -38.24 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.2 mmm -66.8 -46.41 75.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 19' ' ' ILE . 89.4 mt-30 -68.62 -59.61 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.0 -16.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -107.38 -111.76 3.58 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.05 172.89 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 28' ' ' THR . 2.7 m-20 -73.37 -67.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -40.97 -52.74 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ALA . 66.8 m -34.38 -56.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.32 -48.68 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.038 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.6 t -41.39 -38.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.0 m -91.63 -46.98 7.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' PHE . 6.8 t80 -45.69 -54.63 7.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -51.36 -52.71 43.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' GLN . 15.5 t-160 -57.19 -54.74 43.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' HIS . 7.1 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 112' ' ' TYR . 61.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.795 0.331 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.99 -3.12 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.8 -48.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.049 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -60.98 -42.15 97.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.602 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 40.3 m-85 -80.54 -30.44 37.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -84.02 17.88 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 p -101.38 -175.48 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -76.13 -50.74 13.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.84 -48.84 30.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.08 -52.33 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.4 ' NE2' ' HE ' ' A' ' 121' ' ' ARG . 25.2 mm-40 -50.01 -60.9 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.1 mt -38.11 -38.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 121' ' ' ARG . 20.4 t80 -67.18 -63.27 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 120' ' ' TYR . 10.9 mtm105 -36.62 -61.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.58 -53.66 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -46.59 -51.05 16.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 24.2 mm -50.62 -50.24 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -51.39 -39.28 56.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.8 m -71.25 -57.77 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 17.3 mt -55.34 -32.49 62.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.426 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -72.18 -20.84 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.1 m -78.05 -33.09 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.551 ' CG ' ' N ' ' A' ' 131' ' ' ALA . 5.4 pt20 -60.55 -50.73 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 130' ' ' GLN . . . -70.14 -33.17 71.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.0 m -74.18 -68.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.0 Cg_endo -69.73 119.93 6.8 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -75.08 167.84 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -39.01 -67.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -37.79 -67.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -41.84 -53.29 3.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.0 mt -52.43 -39.12 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.46 -37.07 77.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 1.2 m -61.15 -37.44 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.479 HG23 ' NE2' ' A' ' 87' ' ' GLN . 53.9 mt -77.17 -27.54 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -84.34 -28.46 27.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 18' ' ' THR . 12.1 pttm -61.94 -36.58 81.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -68.05 -35.27 77.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.28 -57.92 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -42.5 -50.68 5.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.4 t -38.79 -49.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -55.11 132.1 68.51 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.597 0.713 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 3.04 3.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.583 2.189 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.419 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 69.1 p -112.71 -11.52 13.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -105.6 -25.64 12.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -76.59 5.81 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.8 m -134.4 130.27 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.0 t -43.5 104.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -45.95 -22.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -74.08 -71.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.3 p -96.64 -45.91 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.84 8.29 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.16 127.21 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -68.77 146.01 53.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 37.0 m-80 62.11 51.78 1.93 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.683 0.754 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.5 Cg_endo -69.74 80.35 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.265 . . . . 0.0 112.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 p -41.58 -68.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.416 ' NE1' ' HA ' ' A' ' 53' ' ' ILE . 74.2 m95 -48.5 148.9 1.81 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.48 124.58 6.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -85.12 115.93 23.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.562 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -67.62 -50.04 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.54 HG23 ' CD1' ' A' ' 47' ' ' TYR . 13.3 m -43.66 -57.46 3.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.54 ' CD1' HG23 ' A' ' 46' ' ' THR . 63.7 m-85 -90.48 1.52 56.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.35 51.7 11.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 m -132.41 164.71 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -99.83 145.3 27.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.8 mt -141.23 168.61 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.2 p -111.7 149.39 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.474 HG23 ' N ' ' A' ' 54' ' ' ASP . 3.4 tp -35.1 -32.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.474 ' N ' HG23 ' A' ' 53' ' ' ILE . 25.7 t0 -69.48 -71.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLY . 84.2 m -56.21 -53.09 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' CYS . 57.1 p -33.24 -35.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -59.38 -48.86 83.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.424 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.2 m -51.08 -44.53 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.887 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.456 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 11.9 m-70 -64.3 -44.03 92.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -54.95 -40.23 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.9 m -61.72 -49.32 76.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.0 mt -43.85 -60.74 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.44 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 148.82 131.37 2.0 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.534 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.8 m -46.85 -24.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.44 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 37.3 p-80 -75.79 -38.74 57.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.37 -40.86 57.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -157.49 108.57 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -84.62 125.4 32.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 mm -101.32 133.73 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -147.96 125.21 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.8 m -65.04 171.6 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.0 p -112.32 -37.04 5.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -81.82 -45.0 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.01 -68.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.43 114.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.3 p -116.85 -17.75 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -84.65 47.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.562 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.5 m95 -70.81 -175.13 1.03 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' TRP . 3.0 m -130.03 125.26 34.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.544 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 10.8 m95 -34.19 -44.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -64.2 -51.12 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 79' ' ' SER . 93.1 mt-30 -60.3 -25.53 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.38 -70.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 87' ' ' GLN . 16.1 mmt-85 -43.59 -44.82 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.8 m -40.13 -37.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.1 mmm -70.05 -38.57 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.479 ' NE2' HG23 ' A' ' 19' ' ' ILE . 21.8 mt-30 -76.1 -64.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.407 HG11 ' C ' ' A' ' 127' ' ' LEU . 27.3 m -39.47 -27.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' GLN . . . -112.44 -117.0 3.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.55 161.29 12.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 28' ' ' THR . 5.4 m-20 -46.7 -68.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -41.35 -56.7 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.7 OUTLIER -33.02 -59.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.76 -41.83 64.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t -40.41 -36.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' PHE . 8.2 m -99.76 -51.42 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.8 t80 -34.09 -57.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -48.32 -53.74 16.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.04 -48.36 82.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.734 0.302 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.487 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 15.6 t-20 -77.82 -8.58 58.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.8 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.05 -61.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -44.74 -38.25 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.456 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 60.0 m-85 -85.94 -22.81 27.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 7.7 m-80 -87.7 21.57 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.0 p -113.79 165.45 12.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -42.33 95.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.08 -20.5 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.18 -44.33 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.545 ' CG ' ' N ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -62.37 -51.49 67.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 62.6 mt -45.82 -31.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -74.66 -56.2 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.47 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 25.0 mtm180 -45.73 -61.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -46.46 -46.88 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -53.58 -52.77 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 mm -50.96 -35.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -68.93 -45.31 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.1 m -63.34 -47.75 80.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 130' ' ' GLN . 50.7 mt -66.35 -55.5 15.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -36.38 -36.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -64.92 -44.06 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -52.6 -37.34 58.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -86.0 -39.24 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 54.0 m -63.01 -65.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.653 0.74 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.75 140.35 42.49 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.686 2.258 . . . . 0.0 112.371 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.8 m -87.15 170.47 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -42.98 -62.44 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -45.61 -58.94 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -46.87 -53.49 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.1 mt -55.61 -49.08 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -45.03 -38.11 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' PHE . 21.6 m -60.52 -70.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 18' ' ' THR . 2.0 mp -32.45 -35.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 72' ' ' THR . 23.3 m-85 -80.95 -57.22 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' PHE . 7.2 pttp -36.71 -35.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -66.75 -43.91 82.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' PHE . 23.1 mt -82.46 -54.02 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.44 ' HG3' ' C ' ' A' ' 20' ' ' PHE . 17.3 mtm180 -38.83 -50.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.7 t -46.77 -45.29 19.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 t -50.41 127.86 23.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.716 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 1.56 4.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.4 p -112.18 -9.3 13.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' HA ' ' CG ' ' A' ' 91' ' ' ASN . 97.4 m-20 -109.16 -22.76 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -79.07 12.47 2.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.0 m -132.47 120.91 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.4 t -39.68 103.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.613 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -41.93 -27.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.9 -72.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.84 -47.86 5.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.46 11.91 3.58 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.382 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.19 123.51 9.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -69.03 135.46 50.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 6.1 m120 71.04 50.84 0.33 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.8 80.12 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -41.76 -51.48 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.8 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -63.42 146.57 53.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.72 130.91 14.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.061 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -95.66 116.93 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.79 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.534 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 9.5 mt -71.35 -41.82 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 43.9 m -44.8 -54.63 6.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.473 ' O ' ' C ' ' A' ' 48' ' ' GLY . 7.2 m-85 -103.63 22.63 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 32.0 51.37 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.529 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.41 166.4 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.81 151.52 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.1 mt -146.24 169.72 18.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.5 p -114.77 147.28 39.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.5 tp -32.3 -40.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' CYS . 76.1 m-20 -63.11 -66.4 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 56' ' ' SER . 74.0 m -60.9 -56.94 15.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.8 p -32.54 -38.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.95 -48.84 70.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.0 m -51.19 -47.14 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.546 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 14.1 m-70 -60.62 -46.04 91.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -54.81 -37.45 66.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -61.35 -48.78 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.46 -58.45 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.5 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 146.65 123.0 1.44 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.46 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' GLY . 31.7 m -36.76 -32.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.103 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.5 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 44.3 p-80 -66.54 -46.64 75.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.9 OUTLIER -67.36 -48.25 68.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.99 105.29 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -78.4 132.84 37.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 mm -113.78 140.26 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -148.66 143.21 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -83.68 155.83 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.57 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 40.4 p -103.69 -35.3 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.081 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.7 -42.11 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mp -87.05 -65.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.28 114.67 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -124.1 36.08 4.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -122.22 33.27 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.534 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 13.8 m95 -66.62 151.49 47.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' TRP . 16.4 m -101.4 139.13 37.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 11' ' ' PRO . 45.6 m95 -36.31 -38.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -67.65 -58.52 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.23 -25.7 61.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.1 mt -69.06 -65.88 0.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.7 mmt-85 -52.92 -35.13 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.8 m -49.5 -32.3 11.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.428 ' C ' HD11 ' A' ' 23' ' ' LEU . 87.8 mmm -72.03 -40.93 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.464 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 21.6 mt-30 -71.35 -61.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 28.2 m -46.17 -20.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 87' ' ' GLN . . . -110.59 -102.75 2.71 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.92 154.4 30.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.486 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -45.89 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -32.8 -59.66 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -32.86 -61.66 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.755 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' SER . . . -71.46 -45.57 62.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 94' ' ' ALA . 46.5 t -34.73 -35.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' PHE . 13.3 m -105.52 -49.38 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.9 t80 -34.12 -38.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.05 -53.35 31.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 96' ' ' SER . 3.4 t-160 -67.78 -53.31 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.434 ' CD ' ' HA ' ' A' ' 97' ' ' PHE . 7.9 pt20 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.9 m . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.843 0.354 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.493 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 9.7 t-20 -75.25 -12.33 60.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.6 -59.44 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -43.85 -44.09 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.546 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 35.5 m-85 -78.06 -30.36 49.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 10.5 m-80 -83.86 22.45 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 p -104.59 177.08 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -70.13 -53.81 15.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.6 -39.13 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.86 -52.51 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.66 -61.05 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.6 mt -37.25 -42.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.431 ' O ' ' C ' ' A' ' 121' ' ' ARG . 59.4 t80 -61.45 -65.5 0.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.466 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 29.5 mtm180 -35.02 -64.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -45.24 -53.31 8.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -46.4 -48.32 18.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 40.3 mm -52.71 -40.63 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -63.56 -39.44 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 t -68.54 -57.35 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 17.2 mt -58.44 -43.54 88.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.15 -44.72 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.427 ' HG ' ' N ' ' A' ' 130' ' ' GLN . 54.5 p -54.16 -42.26 69.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.427 ' N ' ' HG ' ' A' ' 129' ' ' SER . 16.2 mm-40 -52.93 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.94 39.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 86.9 m -62.14 -75.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.521 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.82 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.6 m -72.5 166.75 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -42.53 -60.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -41.26 -63.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.72 -55.04 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.9 mt -50.67 -33.58 11.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.29 -38.11 63.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -64.97 -31.66 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 mt -80.44 -29.53 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.545 ' CZ ' HG21 ' A' ' 72' ' ' THR . 6.9 m-85 -81.9 -37.77 26.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -52.11 -35.23 47.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -73.79 -27.28 61.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' HD13 ' A' ' 23' ' ' LEU . 10.8 mp -83.2 -55.72 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.458 ' NE ' ' HB3' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -45.9 -49.73 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -39.46 -49.29 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.1 t -52.16 130.05 40.95 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.664 0.745 . . . . 0.0 111.181 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.86 2.52 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.478 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 72.1 p -112.67 -17.38 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -100.28 -23.71 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -78.03 7.12 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 6.2 m -137.35 125.95 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.1 t -42.84 112.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -51.2 -25.57 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -71.69 -71.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.8 p -97.28 -46.63 6.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.86 10.97 5.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.63 126.87 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -68.49 144.27 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.489 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.4 m-20 62.19 51.28 1.78 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.8 Cg_endo -69.68 80.26 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.409 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 p -42.76 -56.83 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.468 ' CZ2' HD11 ' A' ' 53' ' ' ILE . 76.2 m95 -59.2 145.23 43.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.86 130.82 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 t -90.5 115.85 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.554 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 16.5 mt -70.07 -49.3 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 99.3 m -41.45 -50.72 3.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -100.89 4.34 42.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.09 45.13 20.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.5 m -123.59 165.82 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.327 . . . . 0.0 111.164 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -100.4 142.92 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.1 mt -139.53 172.93 12.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' ILE . 27.7 p -118.84 149.14 42.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.2 tp -31.37 -46.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.91 -68.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.6 m -59.64 -58.32 9.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' CYS . 65.7 p -31.78 -37.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -56.61 -49.65 68.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' CYS . 2.0 m -48.27 -50.97 27.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.632 ' NE2' ' CE2' ' A' ' 112' ' ' TYR . 21.3 m-70 -57.39 -49.27 76.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.816 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 12.7 mtp-105 -52.68 -36.03 56.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -64.65 -47.88 76.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -46.92 -60.77 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' HIS . . . 147.16 127.02 1.74 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.3 m -39.33 -27.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' GLY . 38.1 p-80 -68.7 -44.2 74.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -72.19 -49.55 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -152.54 117.37 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -88.44 137.95 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.404 HG13 ' CG ' ' A' ' 60' ' ' ARG . 2.1 mm -117.39 135.81 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.106 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -147.08 141.46 26.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -82.91 144.43 30.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.545 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 66.6 p -93.26 -39.95 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.73 -45.48 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 mt -78.79 -67.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -71.65 121.74 19.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 m -122.76 31.77 5.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -121.59 45.62 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.554 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 10.3 m95 -73.81 -177.85 2.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' TRP . 1.8 m -123.45 131.18 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.521 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 15.1 m95 -33.75 -49.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -62.72 -47.11 85.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' SER . 14.7 mt-30 -62.47 -26.2 68.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 78' ' ' TRP . 3.8 mm? -65.83 -60.78 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 87' ' ' GLN . 8.9 mmt85 -55.63 -38.99 70.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.2 m -40.73 -45.2 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.401 ' CB ' HD22 ' A' ' 23' ' ' LEU . 71.5 mmm -64.04 -34.44 78.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 84' ' ' ARG . 33.2 mt-30 -72.85 -42.71 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 9.7 m -81.34 19.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.34 -101.1 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.23 149.39 15.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.412 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 28' ' ' THR . 3.4 m-20 -52.76 -67.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -33.92 -64.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -30.35 -64.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.47 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 t -39.12 -34.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' PHE . 20.3 m -103.99 -50.12 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.2 t80 -33.53 -53.15 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.471 ' CZ ' ' HE3' ' A' ' 111' ' ' LYS . 24.7 m-85 -49.99 -54.5 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -63.28 -49.97 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.464 HG23 ' CE2' ' A' ' 112' ' ' TYR . 86.7 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.85 0.357 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 19.4 t-20 -78.14 -13.42 59.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.22 -58.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 98' ' ' PHE . 37.3 tttp -41.91 -44.03 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.632 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 17.0 m-85 -78.93 -30.78 44.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.9 m-80 -84.74 17.93 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.0 p -100.44 166.18 11.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -63.92 -47.6 79.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.72 -36.19 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.53 -51.04 55.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' LEU . 23.9 mt-30 -52.7 -61.21 2.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 118' ' ' GLN . 76.5 mt -34.35 -43.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.436 ' CE1' ' CD1' ' A' ' 124' ' ' ILE . 19.7 t80 -60.56 -64.77 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.478 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.0 mtm105 -37.65 -63.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -45.67 -53.31 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -50.35 -42.22 52.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.436 ' CD1' ' CE1' ' A' ' 120' ' ' TYR . 47.3 mm -56.47 -33.71 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -70.2 -52.42 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.9 t -54.23 -40.8 68.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 52.7 mt -78.2 -54.46 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.87 -42.52 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 p -58.12 -40.32 80.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -53.71 -71.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -46.6 -47.15 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 84' ' ' ARG . 96.7 m -60.72 -72.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.81 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.75 130.92 20.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -70.73 170.41 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -54.07 -59.53 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -41.14 -58.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -49.48 -53.73 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 76' ' ' SER . 58.1 mt -53.99 -35.01 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.26 -30.82 67.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.2 m -68.36 -49.35 60.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.01 -28.58 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -83.41 -49.26 9.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -48.79 -38.09 21.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -61.74 -35.59 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 24' ' ' ARG . 80.0 mt -87.71 -60.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' LEU . 18.4 mtp180 -35.23 -47.04 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -41.44 -47.86 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.5 t -53.72 131.66 56.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 111.187 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 7.48 1.0 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.5 p -117.18 -12.06 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -105.45 -23.13 12.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -80.22 9.15 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' CYS . 16.5 m -135.08 118.55 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' GLY . 15.8 t -34.56 107.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.15 -26.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.2 -71.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.6 p -98.52 -44.99 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 121.94 11.44 5.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.22 122.36 8.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -64.88 141.74 58.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.542 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 54.2 m-20 64.68 48.35 0.72 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.4 Cg_endo -69.65 81.32 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.433 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 p -43.51 -68.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CZ2' HD11 ' A' ' 53' ' ' ILE . 71.6 m95 -45.6 145.41 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.32 130.26 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.3 t -92.01 114.51 27.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.455 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 17.1 mt -66.66 -46.25 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.449 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 89.5 m -42.12 -61.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CE1' HG23 ' A' ' 46' ' ' THR . 51.9 m-85 -94.68 15.64 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.69 54.27 1.09 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 m -131.28 165.19 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 111.07 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -98.95 143.75 28.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -139.14 168.83 18.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.3 p -114.37 149.19 36.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.485 HD11 ' CZ2' ' A' ' 42' ' ' TRP . 5.3 tp -32.11 -43.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' N ' HG22 ' A' ' 53' ' ' ILE . 10.9 t70 -61.43 -71.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' GLY . 77.8 m -55.84 -56.46 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 55' ' ' CYS . 60.6 p -33.6 -35.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.79 -48.24 83.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.1 m -52.21 -44.97 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.805 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.441 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 11.1 m-70 -61.42 -47.59 85.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -48.99 -38.06 22.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -64.71 -47.48 78.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.1 mt -44.87 -47.25 11.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.1 133.55 3.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.551 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 65' ' ' HIS . 24.5 m -46.21 -25.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.172 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.456 ' N ' HG23 ' A' ' 64' ' ' VAL . 34.2 p-80 -77.03 -35.31 57.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 tt -79.63 -39.21 32.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -162.26 105.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -79.94 127.79 32.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.414 HD13 ' CB ' ' A' ' 59' ' ' HIS . 2.8 mm -104.14 147.24 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -163.07 123.79 2.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.4 m -60.55 -176.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.1 p -118.59 -32.25 4.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.06 -53.6 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.28 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.77 117.7 5.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.0 p -124.37 -20.04 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -81.32 40.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.455 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 6.9 m95 -65.01 176.03 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' TRP . 15.2 m -118.37 124.72 48.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.511 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 74.4 m95 -33.38 -53.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.66 -49.76 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -54.12 -45.22 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.57 -59.4 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' GLN . 11.5 mmt85 -45.98 -48.99 16.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 80.4 m -40.42 -32.08 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.422 ' C ' HD12 ' A' ' 23' ' ' LEU . 86.0 mmm -72.32 -42.75 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' ARG . 26.0 mt-30 -72.27 -38.16 68.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.448 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 14.3 m -83.12 23.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.1 -92.45 0.24 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.36 164.27 38.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.524 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.14 -64.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -43.91 -49.8 8.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.055 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' ALA . 1.8 m -34.36 -54.23 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -70.48 -51.12 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.7 t -35.76 -36.94 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' PHE . 65.7 m -97.74 -54.89 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' SER . 43.1 t80 -34.53 -49.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 117' ' ' ALA . 27.7 m-85 -61.16 -59.93 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -50.42 -56.8 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.896 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.6 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.743 0.306 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 19.9 t-20 -77.02 -7.71 56.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.59 -59.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -45.56 -39.79 7.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 46.9 m-85 -83.69 -27.91 28.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 17.4 m-80 -87.49 21.03 2.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.5 p -106.81 175.67 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -67.61 -53.33 29.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.05 16.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 98' ' ' PHE . . . -62.63 -53.82 48.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 119' ' ' LEU . 16.6 mm-40 -50.11 -63.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 118' ' ' GLN . 43.2 mt -35.94 -38.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.8 -62.64 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.449 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.6 mtm105 -38.67 -65.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -47.42 -53.86 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.22 -49.83 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 22.0 mm -55.92 -40.98 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -57.13 -40.15 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 m -68.19 -68.41 0.39 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 7.9 mt -47.25 -41.21 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.47 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.8 t -63.72 -33.12 74.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.39 -59.86 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.06 -53.24 35.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 133' ' ' ARG . 6.9 m -61.48 -59.55 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 132' ' ' THR . 4.3 tpt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 p30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.651 0.739 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.3 Cg_endo -69.72 150.48 68.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.405 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.8 m -101.35 165.62 11.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -58.04 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.7 -56.21 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -55.0 -48.41 73.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.62 -46.62 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.1 mt -50.63 -35.54 30.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 20' ' ' PHE . 98.1 m -62.4 -68.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.203 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' THR . 2.2 mp -36.84 -33.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CZ ' HG21 ' A' ' 72' ' ' THR . 16.4 m-85 -82.65 -53.38 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -44.6 -24.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -77.26 -43.56 32.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 87' ' ' GLN . 31.9 mt -81.69 -53.8 5.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' SER . 61.5 mtm180 -45.35 -49.78 12.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.789 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ARG . 5.2 t -36.63 -51.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' A' ' 28' ' ' THR . 4.9 t -51.58 132.51 35.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 7.65 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.68 2.254 . . . . 0.0 112.38 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.41 ' H ' ' C ' ' A' ' 26' ' ' VAL . 80.8 p -115.12 -13.57 11.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 92.1 m-20 -106.81 -20.74 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -81.78 12.43 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' CYS . 4.7 m -134.03 117.16 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' VAL . 18.3 t -34.0 98.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -39.88 -27.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' CYS . 3.4 t0 -69.22 -71.48 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.53 -44.81 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 125.46 6.44 6.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.87 124.6 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.065 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -69.94 144.74 52.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.6 m-20 63.0 48.68 1.03 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.752 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.65 80.12 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.358 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 m -41.26 -64.05 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -47.96 138.99 8.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.38 126.03 17.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 t -93.26 110.82 22.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.56 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -65.2 -40.06 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.484 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 89.6 m -46.2 -60.28 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' HG21 ' A' ' 46' ' ' THR . 22.6 m-85 -95.51 17.19 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.34 47.84 0.82 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.2 m -127.88 178.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 29' ' ' ASN . 61.1 m-85 -109.79 149.98 29.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.1 mt -146.48 172.88 12.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' ILE . 22.8 p -117.89 150.13 39.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.7 tp -33.55 -39.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.04 -71.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 56' ' ' SER . 78.4 m -55.96 -56.46 20.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.482 ' C ' ' O ' ' A' ' 55' ' ' CYS . 60.7 p -31.08 -43.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.495 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -53.6 -48.9 59.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' CYS . 1.9 m -48.09 -43.15 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.47 ' NE2' ' CZ ' ' A' ' 112' ' ' TYR . 16.7 m-70 -66.67 -45.15 79.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.495 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 41.4 mtm180 -50.19 -45.03 53.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 t -57.43 -47.11 82.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.2 mt -46.15 -47.89 17.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 133.4 129.77 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 m -43.42 -26.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.404 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 35.6 p-80 -75.86 -39.77 55.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 63' ' ' GLY . 1.8 tt -73.29 -42.19 62.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 105.0 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -80.42 128.21 33.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mm -108.63 147.91 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.459 ' HB2' ' CZ2' ' A' ' 78' ' ' TRP . 26.2 mtp180 -157.19 125.54 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -65.0 161.81 17.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.558 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 28.1 p -105.02 -33.59 8.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -83.56 -62.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.34 -68.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.22 118.88 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 m -130.41 34.78 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -123.82 38.26 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.56 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 15.1 m95 -73.13 142.5 47.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.14 149.79 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 9.8 m95 -52.15 -36.67 52.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.19 -47.16 52.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 90.4 mt-30 -61.72 -41.99 98.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.7 mt -53.73 -54.14 42.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 34.5 mmt-85 -55.3 -41.64 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 82' ' ' GLN . 81.1 m -45.1 -30.06 1.03 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 82.8 mmm -76.0 -37.85 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.471 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 20.0 mt-30 -73.27 -54.81 7.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 27.9 m -56.34 -12.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.88 -129.17 4.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.71 166.96 11.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -62.63 -74.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -37.55 -50.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' ALA . 38.0 m -35.2 -52.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.89 -46.88 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -38.09 -41.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.9 t -90.74 -49.91 6.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -40.39 -50.45 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -55.25 -59.03 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 100' ' ' GLN . 2.9 t-160 -55.94 -59.71 4.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 99' ' ' HIS . 14.1 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.751 0.31 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.491 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 20.8 t-20 -71.76 -4.53 28.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.94 -53.6 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -51.45 -40.59 59.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.47 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 61.7 m-85 -83.73 -27.51 28.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 17.7 m-80 -87.2 20.56 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.5 p -102.44 170.91 7.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -62.8 -56.26 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.16 -48.08 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.066 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.93 -50.28 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -58.38 -60.58 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.2 mt -38.8 -37.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -65.13 -60.9 2.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.484 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.6 mtm105 -39.5 -64.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -45.64 -51.84 11.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -50.85 -48.94 59.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.7 mm -50.95 -44.87 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -57.94 -45.73 86.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 m -57.72 -67.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 29.0 mt -46.85 -51.42 16.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.44 -43.66 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.7 m -53.94 -46.92 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -51.11 -57.49 8.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.24 86.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 133' ' ' ARG . 86.6 m -62.71 -67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 132' ' ' THR . 27.6 ttt85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.05 3.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.658 2.238 . . . . 0.0 112.393 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -67.49 164.96 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -44.69 -63.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -39.71 -56.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.8 -50.29 56.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.4 mt -59.77 -43.32 91.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.3 mt -50.68 -35.86 32.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' PHE . 96.3 m -64.54 -69.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' THR . 4.4 mp -32.99 -36.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' THR . 23.2 m-85 -82.53 -54.45 5.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -39.91 -29.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' PHE . 37.0 ttt180 -78.27 -46.5 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -73.97 -59.68 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -40.62 -48.35 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 t -43.79 -41.34 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.434 ' C ' ' H ' ' A' ' 28' ' ' THR . 24.0 t -58.01 134.66 83.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.648 0.737 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 10.35 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.434 ' H ' ' C ' ' A' ' 26' ' ' VAL . 48.2 p -121.99 -12.15 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.452 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 97.7 m-20 -104.66 -25.83 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -75.3 5.77 5.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.41 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 18.2 m -133.43 128.67 55.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' GLY . 16.1 t -44.15 112.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -52.67 -28.51 21.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.83 -67.87 0.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.9 p -101.21 -49.15 4.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 129.4 9.14 3.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.5 121.83 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 141.12 54.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 47.1 t30 70.36 50.92 0.37 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.689 0.757 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.5 Cg_endo -69.77 81.33 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.386 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.6 p -44.48 -48.54 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.513 ' CE2' HD13 ' A' ' 53' ' ' ILE . 75.4 m95 -70.27 150.74 46.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.26 128.01 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -91.95 111.44 22.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.551 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 15.7 mt -64.14 -45.41 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -40.86 -59.67 1.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -96.01 14.13 24.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.54 48.18 2.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 m -126.84 168.58 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 29' ' ' ASN . 44.4 m-85 -99.99 143.56 30.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.0 mt -138.61 165.62 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.0 p -111.73 149.53 31.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.513 HD13 ' CE2' ' A' ' 42' ' ' TRP . 3.2 tp -35.55 -31.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' CYS . 8.7 t70 -71.36 -70.75 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' SER . 84.7 m -54.82 -53.71 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' CYS . 69.6 p -33.21 -46.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.77 -47.83 30.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' CYS . 1.8 m -52.63 -45.11 66.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.833 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.428 ' NE2' ' CZ ' ' A' ' 112' ' ' TYR . 17.7 m-70 -62.24 -48.24 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -50.74 -31.73 17.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t -69.69 -51.0 38.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HB3' ' CD1' ' A' ' 66' ' ' LEU . 42.0 mt -45.05 -41.32 7.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.488 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 124.59 129.99 3.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -42.2 -29.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.488 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 41.4 p-80 -70.6 -39.18 73.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 62' ' ' LEU . 1.7 tt -74.13 -43.46 57.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -157.11 105.06 2.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -76.57 132.29 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.406 HD13 ' CB ' ' A' ' 59' ' ' HIS . 4.9 mm -107.13 153.18 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 9.4 mtp85 -168.47 124.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.8 m -62.82 -176.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 p -119.66 -47.94 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.11 -49.65 16.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.34 -65.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.59 111.32 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p -118.83 -14.64 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -79.22 43.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.551 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 10.0 m95 -72.6 -174.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.71 148.49 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -52.81 -35.05 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -74.46 -41.67 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -67.99 -30.44 69.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 78' ' ' TRP . 3.7 mm? -63.68 -61.72 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -54.76 -36.69 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 m -45.53 -47.22 14.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.4 mmm -63.08 -38.72 92.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -69.44 -60.47 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.448 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 35.8 m -48.98 -26.33 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.41 -127.65 5.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.32 175.66 14.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.403 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 2.0 m-20 -66.46 -61.64 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -45.2 -48.96 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 m -38.45 -55.02 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . . . -69.87 -45.59 67.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' ALA . 26.9 t -37.11 -39.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 97' ' ' PHE . 49.7 m -100.38 -47.63 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 96' ' ' SER . 3.3 t80 -35.7 -54.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -57.21 -64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -45.07 -56.76 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 92.1 m . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.769 0.319 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -90.09 -6.91 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.28 -39.64 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -65.46 -45.29 84.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.428 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 66.3 m-85 -79.95 -13.38 59.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -102.61 21.59 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 p -106.59 165.35 11.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -56.93 -55.01 40.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.53 -50.46 9.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.43 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -51.86 -60.53 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.7 mt -41.24 -39.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -61.36 -60.15 4.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 11.3 mtm105 -41.7 -65.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -47.28 -48.68 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -51.71 -60.38 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.4 mm -40.3 -48.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -54.58 -43.2 71.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.6 t -61.86 -59.34 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 7.2 mt -55.09 -54.49 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -39.27 -47.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.1 t -53.24 -49.84 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -44.99 -56.62 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.63 74.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 133' ' ' ARG . 89.6 m -66.92 -74.14 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' THR . 10.7 mtt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.602 0.715 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.497 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.74 122.53 9.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -66.26 162.89 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -44.78 -66.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -41.41 -48.53 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -54.8 -50.44 68.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.464 ' CG2' HD22 ' A' ' 83' ' ' LEU . 59.6 mt -59.26 -36.29 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.04 -38.41 70.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' PHE . 74.7 m -64.22 -67.66 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' THR . 1.7 mp -33.07 -36.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.566 ' CZ ' HG23 ' A' ' 72' ' ' THR . 35.2 m-85 -85.3 -60.61 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' PHE . 8.2 ptmt -35.54 -33.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' PHE . 40.7 ttt-85 -67.67 -46.71 71.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' PHE . 44.9 mt -76.16 -41.18 50.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -48.86 -49.15 40.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.9 t -42.3 -44.64 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 5.4 t -54.85 136.82 65.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.552 0.691 . . . . 0.0 111.17 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.0 Cg_endo -69.7 -34.09 15.47 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.1 p -81.32 -9.14 59.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.413 ' HA ' ' CG ' ' A' ' 91' ' ' ASN . 17.3 m-20 -103.2 -29.76 11.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -79.56 13.81 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.2 m -134.02 121.54 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 34' ' ' ASP . 15.1 t -40.63 102.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.641 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -41.86 -26.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' CYS . 2.2 t70 -71.03 -72.35 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.4 p -97.04 -47.27 5.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.95 10.62 4.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.7 122.21 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -65.46 146.6 54.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.1 m-20 60.78 51.75 2.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.68 80.13 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 p -41.58 -60.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -54.42 143.86 22.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -146.44 126.08 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -93.3 110.37 21.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.58 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.7 mt -63.68 -38.08 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 3.2 m -40.72 -64.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -98.85 15.37 25.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 43.88 44.52 7.2 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.22 164.41 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -98.45 147.67 24.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -143.35 171.67 13.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' ILE . 25.9 p -116.34 147.42 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.6 tp -33.55 -43.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.06 -59.38 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 56' ' ' SER . 95.8 m -68.76 -59.05 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.1 p -32.21 -39.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.53 -49.49 60.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.452 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.1 m -52.34 -45.31 65.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.379 . . . . 0.0 110.802 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.457 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 14.4 m-70 -60.31 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -54.74 -33.18 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.7 t -65.06 -47.68 76.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.9 mt -48.08 -52.24 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 138.75 129.62 2.69 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.546 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 63' ' ' GLY . 16.1 m -36.27 -41.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 66' ' ' LEU . 16.5 p-80 -63.12 -42.78 99.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 63' ' ' GLY . 2.4 mt -68.14 -43.37 78.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.64 105.27 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.427 ' CE2' ' HD3' ' A' ' 70' ' ' ARG . 8.2 t80 -77.82 121.54 24.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.419 ' C ' ' HG2' ' A' ' 70' ' ' ARG . 2.9 mm -107.56 141.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 78' ' ' TRP . 7.2 mmm180 -150.98 149.17 29.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 m -86.72 146.4 26.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.566 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 78.6 p -92.32 -30.51 15.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.157 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -93.69 -55.36 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.8 -70.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.13 120.57 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -122.66 33.1 5.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.432 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 0.9 OUTLIER -120.45 36.28 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.58 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.7 m95 -70.83 145.72 50.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 80' ' ' TRP . 51.4 p -93.47 137.09 33.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.497 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 91.0 m95 -33.23 -39.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 79' ' ' SER . 22.5 t80 -66.91 -63.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -47.87 -34.95 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 16' ' ' ILE . 15.4 mt -62.84 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.3 mmt-85 -54.74 -32.97 60.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.0 m -50.88 -24.82 3.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 71.4 mmm -79.77 -43.88 21.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -67.89 -58.3 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.0 m -48.5 -19.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.33 -114.83 4.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.12 155.95 10.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.415 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 29' ' ' ASN . 1.4 m-20 -56.1 -64.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.26 -47.54 46.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -39.38 -47.94 1.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.59 -49.42 14.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.3 t -37.98 -41.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 97' ' ' PHE . 16.3 m -90.19 -56.75 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 96' ' ' SER . 4.6 t80 -34.17 -58.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -49.69 -53.23 25.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -57.31 -53.87 53.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 97.0 m . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.838 0.351 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -79.95 -7.85 59.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.06 -51.73 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -51.71 -43.6 62.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.457 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 52.7 m-85 -80.76 -27.55 36.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -87.29 22.56 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.6 p -113.59 164.32 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.427 ' HD2' ' CD ' ' A' ' 118' ' ' GLN . 2.6 tpt180 -56.28 -55.42 33.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -41.2 -28.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.2 -43.78 20.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.498 ' CG ' ' N ' ' A' ' 119' ' ' LEU . 3.9 pt20 -62.69 -48.01 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.498 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 84.8 mt -48.77 -30.27 5.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -77.84 -50.81 11.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.471 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 26.5 mtm180 -54.08 -60.64 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -46.12 -42.14 13.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -62.21 -41.57 98.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.85 -37.94 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -67.19 -33.78 76.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 m -73.23 -44.07 60.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 130' ' ' GLN . 25.4 mt -69.36 -60.89 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -33.91 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 127' ' ' LEU . 9.1 t -61.26 -47.45 85.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 127' ' ' LEU . 6.3 pt20 -50.27 -44.54 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.451 ' N ' ' CG ' ' A' ' 130' ' ' GLN . . . -77.12 -37.39 54.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.2 m -69.55 -68.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.673 0.749 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.433 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.72 108.63 2.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.651 2.234 . . . . 0.0 112.4 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.0 m -63.42 166.58 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -60.14 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -44.63 -45.89 9.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -63.28 -51.58 65.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 76' ' ' SER . 67.6 mt -55.12 -44.57 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 17.6 mt -53.87 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' ILE . 12.0 m -39.25 -72.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' THR . 75.0 mt -33.84 -39.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.44 ' CZ ' HG22 ' A' ' 72' ' ' THR . 4.8 m-85 -75.68 -58.52 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 1.5 ptpp? -43.62 -39.3 3.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 3.8 tmm_? -59.59 -38.22 80.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.9 mt -82.89 -40.41 20.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' SER . 66.4 mtp85 -52.8 -46.46 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.445 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 1.1 t -38.23 -50.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -53.07 133.69 49.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 -14.73 36.09 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.4 p -94.02 -14.2 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -101.48 -30.18 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 25' ' ' SER . 15.1 ptpt -75.3 8.19 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.47 121.66 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -38.34 109.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.532 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -49.02 -26.08 2.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.65 -71.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.2 p -98.24 -47.54 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.69 8.73 4.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.78 119.28 3.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.383 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -65.39 139.64 58.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 36.6 m-80 67.52 52.47 0.63 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.695 0.759 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.76 81.53 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.674 2.249 . . . . 0.0 112.29 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -46.83 -50.98 17.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CD1' ' HA ' ' A' ' 53' ' ' ILE . 90.0 m95 -62.3 143.42 56.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.92 138.29 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 t -104.68 106.46 16.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.568 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.2 mt -57.46 -45.55 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -40.18 -62.73 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -95.46 16.47 16.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 37.63 40.27 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.29 173.77 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -107.97 148.25 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.7 mt -142.93 173.27 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.6 p -114.51 153.13 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 54' ' ' ASP . 3.1 tp -37.94 -32.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.473 ' N ' HG22 ' A' ' 53' ' ' ILE . 57.5 m-20 -71.82 -73.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 56' ' ' SER . 85.3 m -51.06 -55.26 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' CYS . 79.4 p -34.42 -45.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.496 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -51.28 -45.33 52.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 55' ' ' CYS . 1.8 m -52.45 -43.28 64.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.435 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 11.6 m-70 -64.85 -46.97 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.496 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 38.8 mtm180 -49.18 -38.93 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' LEU . 25.3 t -63.83 -57.6 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 61' ' ' SER . 13.7 mt -37.02 -50.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 137.45 126.92 2.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.7 m -43.05 -24.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 111.185 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.47 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 35.9 p-80 -72.67 -40.08 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.6 OUTLIER -72.03 -50.75 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -149.19 105.78 3.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -76.85 132.98 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 mm -109.53 147.81 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' NH1' ' CG ' ' A' ' 75' ' ' ASP . 17.1 mtt-85 -165.76 130.59 2.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.4 m -68.33 179.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.44 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 51.5 p -116.2 -46.62 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.5 -48.76 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mt -72.88 -64.53 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.453 ' CG ' ' NH1' ' A' ' 70' ' ' ARG . 41.3 m-20 -63.82 121.63 14.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 4.7 p -124.94 -15.73 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -82.04 40.86 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.568 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.1 m95 -70.74 -174.69 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.474 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -129.14 148.17 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.874 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.433 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 23.5 m95 -52.07 -35.25 46.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -71.5 -46.83 58.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -67.93 -27.77 66.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 79' ' ' SER . 1.8 mm? -64.72 -62.32 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' CG ' ' HB1' ' A' ' 131' ' ' ALA . 18.1 mmt-85 -60.01 -32.3 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 5.8 m -48.56 -30.44 5.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.5 mmm -75.57 -43.88 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.412 ' NE2' HG22 ' A' ' 19' ' ' ILE . 15.4 mt-30 -66.51 -58.82 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 33.5 m -48.43 -20.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.64 -124.27 5.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.7 152.19 8.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.518 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.56 -51.62 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -56.98 -52.63 64.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 92' ' ' ALA . 24.2 m -36.19 -55.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.451 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -69.15 -45.91 68.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 94' ' ' ALA . 5.3 t -36.61 -37.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' PHE . 7.2 m -99.07 -50.36 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' SER . 24.5 t80 -36.22 -49.87 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CZ ' ' HE3' ' A' ' 111' ' ' LYS . 19.3 m-85 -53.06 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -50.42 -55.0 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.862 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.752 0.31 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 24.9 t-20 -78.34 -2.61 38.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.59 -50.53 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.472 ' HE3' ' CZ ' ' A' ' 98' ' ' PHE . 30.1 tttp -54.75 -42.83 72.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.435 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 54.7 m-85 -82.28 -25.49 33.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.9 m-80 -86.82 18.13 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.7 p -97.82 -178.2 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -79.65 -44.26 21.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.95 -39.81 72.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.42 -50.73 66.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -49.99 -55.91 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 63.7 mt -47.59 -35.06 8.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 94' ' ' ALA . 12.0 t80 -62.01 -47.35 85.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 7.6 mtm105 -58.77 -58.56 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.815 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 11.3 pt-20 -52.31 -41.25 62.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.512 ' N ' ' HG3' ' A' ' 122' ' ' GLU . 18.0 ttmt -59.73 -45.4 92.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 35.2 mm -59.11 -33.85 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -63.35 -40.68 97.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 m -67.9 -54.18 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.473 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 19.8 mt -61.2 -53.45 56.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.434 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -43.42 -38.99 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.2 m -66.86 -33.76 76.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 127' ' ' LEU . 39.5 mt-30 -57.36 -57.31 13.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.456 ' HB1' ' CG ' ' A' ' 84' ' ' ARG . . . -64.39 -40.65 96.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 84.8 m -59.42 -51.53 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.543 0.687 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.558 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.5 Cg_endo -69.79 117.3 5.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -61.71 163.15 7.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -43.57 -60.94 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -42.64 -55.03 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -50.39 -54.1 24.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mt -54.22 -47.89 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.9 mt -46.68 -36.19 6.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' PHE . 52.0 m -64.42 -70.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' THR . 3.6 mp -32.37 -35.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' THR . 24.1 m-85 -83.62 -54.39 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' A' ' 22' ' ' ARG . 1.6 ptmm? -38.98 -41.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 21' ' ' LYS . 13.7 ttt-85 -62.0 -44.12 97.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 54.8 mt -76.63 -58.84 3.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' LEU . 50.6 mtp180 -36.43 -52.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -39.03 -45.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 25.7 t -60.19 137.31 91.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.0 Cg_endo -69.76 11.88 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.449 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 12.0 p -114.94 -25.99 7.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -93.4 -30.1 15.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -71.18 0.55 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 m -132.3 133.93 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 34' ' ' ASP . 46.9 t -50.07 127.56 16.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.3 -33.08 72.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.522 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 4.0 m-20 -65.03 -72.14 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.6 p -96.85 -55.39 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 32' ' ' CYS . . . 130.36 19.65 1.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.553 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.78 128.34 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -66.21 142.52 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.442 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 48.8 t30 63.44 53.77 1.67 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.578 0.704 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.76 80.78 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.397 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 p -44.59 -65.81 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -51.85 149.0 5.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.69 122.29 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.4 t -85.82 120.1 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.797 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.528 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 15.8 mt -72.84 -39.45 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.546 HG23 ' CD1' ' A' ' 47' ' ' TYR . 13.5 m -47.19 -54.9 9.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.546 ' CD1' HG23 ' A' ' 46' ' ' THR . 52.4 m-85 -96.42 10.94 36.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 41.34 50.6 4.57 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 m -135.92 160.14 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -91.36 143.54 26.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 84.2 mt -135.27 160.69 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.2 p -107.66 149.0 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG21 ' N ' ' A' ' 54' ' ' ASP . 2.8 tp -32.96 -37.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.473 ' N ' HG21 ' A' ' 53' ' ' ILE . 31.4 t0 -66.58 -69.42 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 34' ' ' ASP . 77.2 m -55.87 -56.14 24.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' CYS . 79.1 p -32.74 -43.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.68 -49.87 45.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' CYS . 55.5 p -50.43 -43.25 54.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 112' ' ' TYR . 22.8 m-70 -70.02 -44.4 69.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -47.76 -37.45 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.6 m -75.23 -44.77 44.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.7 mt -40.52 -48.96 2.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 129.25 126.09 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.481 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.6 m -38.5 -30.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.448 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 33.8 p-80 -72.46 -42.71 64.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.9 OUTLIER -71.08 -43.67 67.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -159.92 105.19 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -78.19 132.21 37.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 3.6 mm -108.18 148.67 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.213 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 16.3 mtp180 -162.47 127.85 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -70.07 166.74 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.4 p -107.02 -37.15 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -85.26 -58.48 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.68 -57.98 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -77.9 109.38 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 m -119.89 37.06 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -122.42 35.35 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.528 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 12.5 m95 -67.2 162.52 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 80' ' ' TRP . 3.2 m -107.99 133.06 52.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.558 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 75.0 m95 -30.66 -51.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -62.03 -55.98 23.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -53.51 -34.25 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.49 -56.0 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.8 mmt-85 -59.11 -34.54 72.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 86.0 m -49.66 -34.71 19.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.8 mmm -73.05 -35.3 66.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.85 -60.45 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.476 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 27.6 m -44.63 -30.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -101.37 -106.13 2.89 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.15 175.04 18.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 28' ' ' THR . 3.8 m-20 -72.12 -54.28 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -55.84 -50.55 70.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' ALA . 4.4 m -35.75 -52.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.5 -54.49 10.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.3 t -35.1 -41.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 97' ' ' PHE . 8.1 t -89.24 -54.1 4.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 96' ' ' SER . 34.5 t80 -36.01 -58.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -42.16 -48.94 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' GLN . 7.2 t60 -61.38 -56.02 24.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.9 m . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.831 0.348 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 18.7 t-20 -75.12 -4.27 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.71 -58.66 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -43.2 -40.12 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.642 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 24.7 m-85 -86.89 -29.87 21.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.0 m-80 -85.11 20.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.9 p -101.93 172.61 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -65.84 -54.91 20.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.33 -46.71 25.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.84 72.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -55.57 -59.81 4.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.0 mt -37.72 -39.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 121' ' ' ARG . 39.5 t80 -62.06 -65.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 10.2 mtm105 -35.84 -61.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -47.2 -51.63 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -52.19 -50.19 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.4 mm -49.46 -35.54 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -70.74 -38.31 73.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -65.27 -53.1 49.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.476 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 15.3 mt -62.58 -53.55 53.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.43 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -43.1 -41.11 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 m -57.34 -39.73 76.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.783 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -57.64 -73.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.55 -39.89 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 60.7 m -67.18 -72.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.589 0.709 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.4 Cg_endo -69.71 128.92 16.77 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -77.24 172.45 13.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -48.82 -63.04 1.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -40.81 -54.42 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -52.84 -52.8 55.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.12 -43.23 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -52.21 -36.85 53.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' ILE . 52.5 m -64.63 -68.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.469 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 2.4 mp -33.5 -36.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 72' ' ' THR . 26.3 m-85 -82.87 -58.98 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' PHE . 6.6 ptmt -35.59 -37.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -63.08 -44.77 94.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' PHE . 17.0 mt -77.67 -43.05 32.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' SER . 36.1 mtp180 -45.75 -53.93 8.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' ARG . 26.1 m -36.1 -50.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.438 HG13 ' HD2' ' A' ' 27' ' ' PRO . 3.4 t -52.05 131.27 40.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.438 ' HD2' HG13 ' A' ' 26' ' ' VAL . 53.7 Cg_endo -69.73 -14.3 35.97 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 p -96.58 -13.26 23.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -102.41 -27.8 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -76.75 10.19 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 17.0 m -134.07 132.92 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' SG ' ' CB ' ' A' ' 34' ' ' ASP . 6.4 t -48.81 101.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -39.32 -32.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.403 ' CB ' ' SG ' ' A' ' 32' ' ' CYS . 5.5 t0 -63.39 -71.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.7 p -98.6 -49.03 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.4 17.34 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.26 122.01 12.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -64.41 141.79 58.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.8 m-20 63.96 50.39 1.08 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.77 79.57 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 p -39.49 -59.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' NE1' ' HA ' ' A' ' 53' ' ' ILE . 79.6 m95 -56.3 142.95 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.11 126.8 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.045 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -90.97 114.45 26.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.555 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.9 mt -67.68 -46.52 82.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m -38.36 -63.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -92.53 10.04 31.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 44.11 46.59 8.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 m -124.01 173.18 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -107.08 139.68 41.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.4 mt -135.95 167.62 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.4 p -106.33 171.07 7.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 2.4 tp -52.83 -40.3 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -67.16 -75.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' SER . 72.0 m -43.8 -57.5 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 92.2 p -33.43 -36.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.4 -48.35 81.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -50.71 -42.67 57.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.551 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 25.6 m-70 -67.81 -45.24 75.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -56.44 -30.9 63.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.1 t -68.97 -49.12 60.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.76 -51.68 27.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.545 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.53 128.92 2.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.562 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.3 m -44.39 -24.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.545 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 25.5 p-80 -70.91 -40.54 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.79 -49.99 22.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -147.06 105.11 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -75.62 132.54 40.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mm -109.91 135.99 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -148.08 136.35 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 t -79.84 166.2 21.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.567 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 51.6 p -109.12 -31.16 7.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -92.64 -56.27 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.72 -53.48 32.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.06 125.3 29.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.96 32.82 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -120.98 36.9 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.555 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 13.1 m95 -73.9 142.35 45.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.86 149.62 21.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.569 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 49.8 m95 -47.02 -39.28 12.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -67.31 -58.2 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -54.58 -31.75 57.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.35 -62.05 1.94 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.442 ' CD ' ' HB2' ' A' ' 131' ' ' ALA . 31.5 mmt-85 -52.02 -40.22 60.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 95.8 m -42.83 -40.68 2.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 80.7 mmm -68.07 -38.26 82.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 19' ' ' ILE . 14.9 mm-40 -68.86 -59.05 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.434 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 24.2 m -54.89 -13.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -110.65 -140.59 8.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 138.89 154.11 6.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 1.6 m-20 -52.97 -60.23 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -49.12 -55.93 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 92' ' ' ALA . 2.6 m -32.12 -59.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.811 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' SER . . . -68.37 -48.74 63.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 94' ' ' ALA . 13.2 t -36.71 -32.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' ALA . 99.7 p -105.03 -53.7 2.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.4 t80 -35.57 -37.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -67.81 -55.29 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -64.97 -55.33 19.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.42 ' CD ' ' HA ' ' A' ' 97' ' ' PHE . 2.9 pt20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.813 0.339 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.484 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 16.5 t-20 -73.51 -5.13 38.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.36 -53.26 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -51.61 -42.77 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 53.3 m-85 -80.8 -24.96 38.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 14.9 m-80 -89.17 20.8 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.9 p -104.04 165.14 11.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -60.67 -50.77 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.94 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.93 -52.78 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -54.24 -57.82 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.5 mt -40.59 -43.97 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.502 ' CE1' HD13 ' A' ' 124' ' ' ILE . 28.0 t80 -57.93 -60.65 3.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 120' ' ' TYR . 27.1 mtm180 -38.38 -62.78 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -47.42 -52.12 17.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -46.38 -52.37 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.502 HD13 ' CE1' ' A' ' 120' ' ' TYR . 26.9 mm -49.91 -40.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.6 -46.33 90.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.3 t -59.48 -65.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.434 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 26.3 mt -49.56 -55.07 14.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.39 -44.84 5.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.8 t -59.13 -32.82 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 127' ' ' LEU . 44.3 mm-40 -62.2 -43.61 98.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.442 ' HB2' ' CD ' ' A' ' 84' ' ' ARG . . . -79.18 -34.17 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 67.1 m -68.58 -49.7 57.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.636 0.731 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.45 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.4 Cg_endo -69.83 133.71 26.11 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.646 2.23 . . . . 0.0 112.28 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' LYS . 55.3 m -73.82 159.32 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' SER . 24.0 ttpt -37.0 -54.96 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -48.7 -58.43 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.12 -49.84 50.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.0 mt -57.26 -47.42 84.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.7 mt -48.96 -65.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' ILE . 9.0 m -38.9 -69.76 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.473 ' CD1' HD12 ' A' ' 83' ' ' LEU . 98.5 mt -33.79 -37.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CZ ' HG23 ' A' ' 72' ' ' THR . 10.3 m-85 -80.48 -55.5 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -40.08 -35.18 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -65.62 -40.83 93.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 87' ' ' GLN . 22.0 mt -83.83 -52.83 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -48.13 -42.97 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -43.81 -46.1 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.446 ' C ' ' H ' ' A' ' 28' ' ' THR . 13.7 t -51.91 135.27 37.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.694 0.759 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.1 Cg_endo -69.79 10.91 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 26' ' ' VAL . 72.3 p -120.82 -17.22 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.495 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 97.3 m-20 -99.85 -21.67 15.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -81.86 12.06 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' CYS . 20.4 m -138.83 119.56 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 36' ' ' GLY . 8.0 t -36.02 103.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.539 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -41.68 -32.64 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.29 -72.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.1 p -98.13 -48.81 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.97 12.25 3.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.52 115.07 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -60.1 142.39 54.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.457 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 9.5 m120 62.78 53.66 1.94 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.7 82.49 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.9 p -45.37 -36.25 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CD1' ' N ' ' A' ' 53' ' ' ILE . 91.3 m95 -81.91 147.88 29.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.39 128.46 10.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -91.72 112.77 24.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.576 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 9.6 mt -65.45 -44.83 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.447 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 1.8 m -41.63 -61.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -93.05 15.33 15.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.93 48.41 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.428 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 m -129.78 166.05 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.495 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 65.7 m-85 -97.85 145.4 26.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.8 mt -139.39 170.55 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.0 p -116.44 150.99 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 42' ' ' TRP . 3.0 tp -35.09 -37.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.78 -72.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 56' ' ' SER . 79.1 m -52.4 -56.25 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 55' ' ' CYS . 38.2 p -30.58 -42.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.486 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -53.05 -49.84 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' CYS . 69.0 p -48.7 -38.95 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.469 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 24.0 m-70 -76.63 -41.13 47.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.486 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 31.0 mtm180 -49.64 -37.09 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 t -73.73 -43.11 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.5 mt -44.34 -36.49 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 115.69 130.36 4.69 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.425 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.9 m -41.68 -29.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.19 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -74.11 -38.84 63.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' GLY . 1.0 OUTLIER -74.1 -44.58 53.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -160.37 105.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -76.72 139.61 40.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.5 mm -113.23 140.21 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.419 ' HB3' ' CZ2' ' A' ' 78' ' ' TRP . 11.2 mmm180 -150.75 141.54 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 t -90.09 152.7 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.492 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 76.9 p -90.65 -43.27 10.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -87.65 -65.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.74 -36.51 47.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -108.2 122.05 46.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.8 m -129.49 32.75 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.02 26.35 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.8 m95 -59.71 159.09 9.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 80' ' ' TRP . 1.6 p -105.61 135.66 46.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.818 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.487 ' C ' ' O ' ' A' ' 79' ' ' SER . 65.7 m95 -31.31 -42.76 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' SER . 32.2 t80 -65.13 -67.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -49.83 -27.24 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 19' ' ' ILE . 7.9 mt -66.51 -63.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.477 ' CD ' ' HB1' ' A' ' 131' ' ' ALA . 25.2 mmt-85 -53.31 -34.31 56.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 92.7 m -42.51 -48.98 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 77.4 mmm -58.84 -34.06 71.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.466 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 31.4 mt-30 -72.6 -43.15 63.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.474 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 10.5 m -81.36 21.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.15 -86.03 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.84 161.2 35.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 28' ' ' THR . 22.0 m-20 -75.36 -64.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -49.05 -51.36 31.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' ALA . 33.5 m -33.32 -54.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -66.78 -50.33 63.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' ALA . 7.6 t -36.1 -40.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' PHE . 17.8 m -92.8 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.2 t80 -36.17 -43.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.92 -60.77 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -51.53 -51.92 51.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.851 0.358 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 22.1 t-20 -72.73 -6.62 45.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.37 -59.7 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -46.59 -37.43 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.469 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 45.4 m-85 -85.62 -30.5 23.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 11.6 m-80 -86.63 25.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.1 p -110.74 166.51 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -57.77 -56.19 25.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.41 -44.15 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.07 -50.74 63.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 119' ' ' LEU . 31.1 mt-30 -53.2 -61.42 2.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 118' ' ' GLN . 40.7 mt -35.98 -38.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -62.17 -61.18 2.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 20.7 mtm180 -38.92 -66.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -46.25 -52.82 11.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -48.12 -55.84 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.2 mm -46.71 -40.43 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -59.1 -55.37 35.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 t -54.67 -58.12 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 130' ' ' GLN . 32.9 mt -55.92 -58.11 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -37.32 -47.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 133' ' ' ARG . 19.4 t -58.57 -38.58 78.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' LEU . 2.0 pp0? -54.36 -34.44 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.477 ' HB1' ' CD ' ' A' ' 84' ' ' ARG . . . -88.51 -30.77 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.5 m -83.86 -64.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 129' ' ' SER . 55.5 ttt-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 t -105.82 117.6 34.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -51.53 -51.8 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.79 127.21 5.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -81.29 168.93 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -132.06 89.99 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.3 46.77 1.06 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ptm -156.04 156.68 34.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.28 142.23 15.93 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.44 155.04 89.52 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.608 0.718 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.555 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.7 133.07 24.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -78.12 173.17 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.019 0.438 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -51.0 -61.94 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -40.22 -65.59 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.07 -50.93 8.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 76' ' ' SER . 74.4 mt -57.64 -39.56 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.1 mt -67.58 -29.87 69.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -70.29 -34.93 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.7 mt -76.22 -24.99 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CZ ' HG21 ' A' ' 72' ' ' THR . 16.2 m-85 -90.22 -29.6 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -65.67 -28.35 69.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.86 -41.77 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 23' ' ' LEU . 7.6 mp -72.55 -44.42 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mtp-105 -57.12 -44.64 83.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -38.7 -47.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.499 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 2.7 t -55.66 136.82 71.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.499 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.6 Cg_endo -69.76 -28.17 25.59 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -85.55 -9.21 57.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' CG ' ' HB ' ' A' ' 26' ' ' VAL . 13.7 m-20 -102.82 -30.11 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -79.46 13.68 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' CYS . 16.7 m -137.35 118.08 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' VAL . 28.7 t -35.2 106.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.577 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -48.2 -21.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -75.58 -70.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.8 p -97.39 -43.31 7.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 122.33 7.1 7.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.15 124.66 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -67.99 147.94 51.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 8.0 m120 59.77 48.79 2.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.71 80.59 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.376 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -44.23 -62.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -49.16 139.43 10.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.4 137.71 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -103.43 106.16 16.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.459 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.3 mt -60.22 -44.05 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.403 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 0.3 OUTLIER -41.57 -58.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -100.54 12.63 36.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.95 49.24 4.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 m -124.55 165.31 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -102.18 133.06 47.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -128.82 170.8 12.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ASP . 24.4 p -116.92 148.31 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 52' ' ' CYS . 5.1 tp -33.23 -34.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' CYS . 9.2 t70 -67.07 -67.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.1 m -63.42 -55.08 27.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' CYS . 82.3 p -33.45 -36.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.94 -48.36 82.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.2 m -52.27 -49.9 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 110.838 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 9.3 m-70 -54.96 -48.82 72.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -51.2 -38.6 53.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 t -62.22 -47.06 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.7 mt -47.81 -47.14 31.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 131.6 126.33 2.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.535 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -38.79 -31.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.456 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 28.6 p-80 -68.44 -43.19 77.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' GLY . 2.1 tt -70.73 -47.72 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -153.36 105.13 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -78.0 134.25 37.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 mm -113.9 136.93 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -147.91 127.91 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -69.5 173.99 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.498 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 67.6 p -118.22 -30.56 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.213 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.72 -36.65 23.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.88 -67.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.85 114.64 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.8 p -117.48 -21.75 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -76.34 50.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.459 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 8.3 m95 -79.14 156.18 28.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' TRP . 20.3 m -102.32 127.89 49.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.555 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 82.1 m95 -33.88 -59.29 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -48.8 -47.12 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.485 ' O ' ' C ' ' A' ' 83' ' ' LEU . 87.3 mt-30 -60.11 -67.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 82' ' ' GLN . 5.2 mt -30.64 -56.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 87' ' ' GLN . 71.3 mmt-85 -52.84 -49.21 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 82' ' ' GLN . 75.9 m -37.09 -35.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.5 mmm -70.84 -43.51 68.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ARG . 6.7 mt-30 -71.77 -36.84 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' CG2' ' HA ' ' A' ' 85' ' ' CYS . 21.7 m -84.04 26.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.93 -92.91 0.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.8 159.64 34.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.471 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -66.01 -68.38 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -42.0 -49.59 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 92' ' ' ALA . 1.9 m -37.88 -47.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.99 -48.68 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 t -39.55 -39.07 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 97' ' ' PHE . 3.6 m -92.15 -56.72 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.5 t80 -34.87 -48.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 117' ' ' ALA . 17.8 m-85 -57.96 -66.63 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -44.58 -50.22 9.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -37.91 -46.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -73.02 -46.82 49.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 51.13 0.42 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.527 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 104' ' ' SER . 19.0 p -67.88 -46.26 72.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.426 ' N ' ' SG ' ' A' ' 103' ' ' CYS . 24.5 t 46.02 38.66 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 106' ' ' ASN . 90.4 m -135.6 138.74 43.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.462 ' N ' HG22 ' A' ' 105' ' ' THR . 60.9 m-20 -103.44 -43.01 5.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' ASN . 4.8 m-20 -36.29 138.81 0.19 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.0 m -79.13 -37.37 38.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 1.1 t30 -77.72 -5.57 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.01 -57.69 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -47.92 -40.42 21.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.422 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 45.1 m-85 -83.04 -26.4 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 25.4 m-80 -89.5 19.52 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.6 p -105.29 163.05 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -55.15 -56.62 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.92 -49.98 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 98' ' ' PHE . . . -57.11 -55.5 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.45 -59.1 3.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.2 mt -38.96 -44.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 121' ' ' ARG . 34.6 t80 -57.63 -66.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 120' ' ' TYR . 12.1 mtm180 -35.26 -65.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -43.82 -52.86 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -49.39 -52.94 25.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.8 mm -48.16 -46.49 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -55.32 -44.87 76.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.9 t -59.59 -68.58 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 130' ' ' GLN . 14.6 mt -45.97 -53.26 10.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -37.16 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 127' ' ' LEU . 46.0 p -68.47 -47.14 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 127' ' ' LEU . 68.8 mt-30 -48.9 -41.47 33.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.3 -42.77 16.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.4 m -61.23 -63.56 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -45.9 -43.71 13.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -42.71 115.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 136' ' ' GLY . 74.1 m80 40.6 43.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 34.22 -123.92 0.46 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 138' ' ' ASP . 34.7 p -63.7 -50.53 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 111.191 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 137' ' ' THR . 1.2 m-20 -34.41 102.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 140' ' ' TRP . 10.2 tp -43.24 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 141' ' ' LEU . 1.1 p90 -34.07 -46.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.533 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 2.9 mt -39.48 -63.77 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -160.61 166.64 28.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.7 t -75.13 102.67 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 8.2 t -74.51 -43.36 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.401 ' HA2' ' HD2' ' A' ' 146' ' ' PRO . . . 138.44 98.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.401 ' HD2' ' HA2' ' A' ' 145' ' ' GLY . 54.5 Cg_endo -69.73 128.09 15.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.736 2.291 . . . . 0.0 112.379 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 68.6 m -78.04 127.35 32.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 64.2 m -49.49 106.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.468 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -110.91 140.67 45.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 p -161.63 136.52 7.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.73 126.64 3.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 m -91.92 158.61 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -96.7 45.99 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.39 48.2 4.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -80.7 42.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 37.2 -146.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.9 158.38 69.96 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.615 0.722 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.521 ' HB3' ' CE2' ' A' ' 80' ' ' TRP . 52.9 Cg_endo -69.8 118.85 5.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 m -63.02 167.7 4.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -47.86 -58.71 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -44.47 -62.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -46.02 -52.45 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.405 ' CD1' ' O ' ' A' ' 76' ' ' SER . 77.1 mt -51.66 -40.77 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.069 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.33 -28.07 69.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.8 m -68.86 -31.7 70.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -78.78 -28.57 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -85.3 -43.36 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -47.29 -34.98 7.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -66.88 -41.24 87.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD23 ' ND2' ' A' ' 29' ' ' ASN . 34.0 mt -78.64 -57.06 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 10.0 mtp-105 -42.9 -51.24 5.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.2 p -40.28 -35.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 5.3 t -74.7 135.19 74.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.4 Cg_endo -69.82 1.57 4.35 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -106.3 -16.11 14.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.46 ' ND2' HD23 ' A' ' 23' ' ' LEU . 77.8 m-20 -105.48 -28.13 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -75.68 7.18 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' CYS . 21.2 m -136.23 119.97 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.6 t -35.28 112.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -50.71 -26.77 5.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -70.76 -71.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.3 p -97.03 -49.42 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.55 13.57 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.1 124.2 14.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -64.0 139.43 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.473 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 43.5 t30 64.39 52.66 1.23 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.81 80.23 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -40.36 -68.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -48.94 143.39 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.31 127.83 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.4 t -86.61 119.88 27.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' THR . 23.1 mt -73.92 -56.22 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ILE . 43.6 m -34.71 -43.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.8 -27.38 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.48 37.3 27.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.4 m -118.98 174.64 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.52 140.41 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.0 mt -136.66 169.4 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.5 p -115.4 147.61 40.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.8 tp -32.8 -38.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' CYS . 3.8 m-20 -64.81 -67.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 56' ' ' SER . 67.9 m -62.35 -54.94 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.7 p -33.03 -40.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.79 -47.74 83.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . 2.7 m -52.58 -41.82 63.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.466 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 6.6 m-70 -65.56 -46.24 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -49.39 -34.28 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -67.26 -44.94 78.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.4 mt -44.62 -56.75 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 141.2 127.84 2.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 65' ' ' HIS . 27.1 m -41.67 -25.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 111.173 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.465 ' N ' HG22 ' A' ' 64' ' ' VAL . 32.4 p-80 -78.37 -38.71 41.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' GLY . 1.7 tt -76.17 -40.92 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -159.58 108.17 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -86.16 132.47 34.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 mm -108.53 149.34 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -165.14 122.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -61.61 178.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -117.91 -41.07 2.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.87 -43.05 25.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.79 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -77.79 -64.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -62.44 129.61 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 5.5 p -128.09 -25.92 2.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -77.41 46.83 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -71.74 174.96 6.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' TRP . 67.9 m -115.97 121.13 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.521 ' CE2' ' HB3' ' A' ' 11' ' ' PRO . 16.9 m95 -34.56 -37.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -71.38 -51.54 23.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' SER . 89.7 mt-30 -56.67 -37.59 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.64 -54.86 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.9 mmt-85 -54.8 -39.74 68.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.412 ' HB3' ' CG2' ' A' ' 124' ' ' ILE . 74.6 m -48.51 -36.01 14.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 81.1 mmm -64.92 -40.6 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.438 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 22.2 mt-30 -72.63 -63.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 35.7 m -41.96 -30.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -102.38 -109.08 3.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 100.95 155.16 27.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.447 ' ND2' ' HB2' ' A' ' 33' ' ' PHE . 1.8 m-20 -45.64 -68.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -34.94 -63.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -29.81 -64.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.73 79.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -38.92 -33.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' PHE . 11.9 t -106.15 -51.07 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.651 ' CE1' ' CE1' ' A' ' 101' ' ' HIS . 10.5 t80 -32.61 -46.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -61.63 -59.34 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -57.76 -55.04 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -45.66 -47.18 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.651 ' CE1' ' CE1' ' A' ' 97' ' ' PHE . 1.4 m80 -60.95 -61.67 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.16 41.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.9 t -145.18 109.41 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.3 m -111.19 41.11 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.773 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.5 m -78.94 126.48 30.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -83.02 -29.16 29.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -49.25 171.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.3 m -111.05 -43.75 3.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 23.1 t-20 -77.38 -8.36 57.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.58 -55.1 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -50.67 -46.87 58.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.466 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 52.8 m-85 -76.38 -23.62 54.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 10.9 m-80 -88.37 20.48 3.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.3 p -101.73 169.89 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -64.53 -49.78 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.12 -43.21 30.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.02 -52.98 61.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -49.48 -62.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.49 HD13 ' CD2' ' A' ' 101' ' ' HIS . 37.7 mt -42.51 -40.47 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 121' ' ' ARG . 41.9 t80 -61.41 -62.44 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 120' ' ' TYR . 42.1 mtm180 -37.22 -66.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -48.4 -51.46 26.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -43.78 22.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.412 ' CG2' ' HB3' ' A' ' 85' ' ' CYS . 26.4 mm -56.78 -44.04 80.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -61.63 -37.4 83.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 t -66.89 -54.89 17.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 47.1 mt -57.82 -61.27 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.01 -45.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.4 t -51.68 -39.69 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -60.02 -56.25 23.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.0 73.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.7 m -69.79 -49.36 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 134' ' ' LYS . 6.6 ptt85 -73.61 -34.6 65.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.45 ' CE ' ' HB2' ' A' ' 140' ' ' TRP . 0.9 OUTLIER -34.45 -58.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -133.16 -45.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 99.14 -137.89 13.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.432 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 15.7 p -42.23 -36.01 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.71 137.85 55.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 140' ' ' TRP . 4.4 mm? -77.54 92.21 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.502 ' CZ2' HD11 ' A' ' 141' ' ' LEU . 11.4 p90 -34.54 -41.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.502 HD11 ' CZ2' ' A' ' 140' ' ' TRP . 4.2 mp -34.75 109.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.14 145.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.1 m -68.31 124.47 23.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 34.3 t -94.89 -51.48 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.2 -103.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 90.02 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.397 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.3 t -73.62 131.13 41.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.8 m -146.77 171.68 14.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.489 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -108.47 128.89 55.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -64.47 -52.28 58.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.88 -140.84 8.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -46.38 110.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.937 0.399 . . . . 0.0 110.901 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -132.12 84.12 2.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.66 57.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.41 152.86 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.32 141.39 16.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -52.85 152.43 7.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.5 Cg_endo -69.84 125.87 12.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.592 2.195 . . . . 0.0 112.38 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 m -79.7 174.08 11.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -48.93 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -42.35 -62.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -49.97 -54.71 18.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 76' ' ' SER . 65.0 mt -48.43 -33.39 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -73.95 -32.01 63.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 m -57.35 -28.84 63.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mp -87.02 -40.44 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CZ ' ' CG2' ' A' ' 72' ' ' THR . 12.4 m-85 -71.6 -27.47 63.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -61.98 -40.18 94.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -68.87 -33.58 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' N ' HD13 ' A' ' 23' ' ' LEU . 10.7 mp -81.58 -63.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LEU . 43.6 mtp180 -38.18 -51.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.451 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 24.8 p -39.88 -50.18 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -55.15 130.49 68.31 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.685 0.755 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -2.21 9.74 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -104.45 -11.8 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -107.38 -25.3 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' NZ ' ' O ' ' A' ' 25' ' ' SER . 15.3 ptpt -78.19 10.59 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' CYS . 5.3 m -135.27 120.9 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 36' ' ' GLY . 29.3 t -37.57 104.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.606 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.99 -22.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -74.02 -71.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.6 p -96.49 -45.15 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 123.68 9.28 5.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.427 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.32 128.83 29.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -71.11 146.93 48.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.508 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.7 m-20 60.96 50.38 2.06 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.75 80.51 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 p -42.23 -68.03 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 53' ' ' ILE . 85.5 m95 -46.8 143.37 2.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.47 133.82 19.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 t -96.22 113.68 25.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.7 mt -69.64 -44.57 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.188 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.477 HG22 ' CD1' ' A' ' 47' ' ' TYR . 32.1 m -47.85 -46.59 31.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.477 ' CD1' HG22 ' A' ' 46' ' ' THR . 60.1 m-85 -104.68 10.84 34.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.98 44.5 2.77 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.04 169.98 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -107.13 145.86 31.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 59' ' ' HIS . 21.0 mt -142.51 165.78 26.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.8 p -106.75 148.73 28.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.503 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.4 tp -33.91 -33.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' CYS . 13.7 t70 -69.0 -72.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 56' ' ' SER . 85.9 m -55.12 -55.59 29.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' CYS . 61.7 p -32.57 -37.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.6 -50.04 62.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.2 m -51.38 -42.04 61.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.446 ' CD2' HD12 ' A' ' 51' ' ' LEU . 12.7 m-70 -64.4 -46.36 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -55.31 -35.81 65.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -67.15 -53.71 28.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -40.03 -51.61 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.541 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.71 124.5 2.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -38.6 -29.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.541 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 36.9 p-80 -68.82 -45.17 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -67.11 -44.61 79.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.401 ' OG ' ' CE1' ' A' ' 47' ' ' TYR . 1.8 m -156.48 109.8 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -81.92 129.2 34.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 mm -108.72 138.43 35.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -144.28 148.48 34.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.42 132.41 39.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.638 ' CG2' ' CZ ' ' A' ' 20' ' ' PHE . 60.4 p -77.62 -46.41 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.69 -73.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.9 mt -42.75 -66.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.84 137.86 37.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.5 p -129.01 -8.2 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -86.7 50.54 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -73.89 -177.73 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' GLN . 9.6 m -124.89 129.02 49.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.562 ' CZ2' ' HB ' ' A' ' 137' ' ' THR . 39.5 m95 -39.13 -50.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -57.32 -37.96 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' SER . 84.1 mt-30 -73.98 -26.57 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.68 -52.23 47.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' CD ' ' HB2' ' A' ' 131' ' ' ALA . 22.2 mmt-85 -63.03 -34.75 78.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.7 m -50.27 -30.88 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 89.4 mmm -73.99 -46.0 46.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.553 ' OE1' ' CH2' ' A' ' 140' ' ' TRP . 11.6 mt-30 -64.84 -61.33 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.1 m -49.44 -18.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.65 -116.28 4.17 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.34 160.05 13.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.459 ' ND2' ' HB2' ' A' ' 33' ' ' PHE . 4.7 m-20 -63.07 -57.9 9.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -55.6 -49.68 72.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 92' ' ' ALA . 13.7 m -34.25 -53.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.36 -47.37 56.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' ALA . 30.0 t -35.61 -39.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 97' ' ' PHE . 72.0 m -90.94 -58.05 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.5 t80 -34.21 -54.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -49.25 -54.04 18.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.4 t-160 -62.49 -55.17 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 99' ' ' HIS . 11.5 mm100 -33.32 -46.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -71.09 -62.53 1.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.12 50.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.7 t -128.78 84.7 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.1 p -90.21 44.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.3 m -96.55 134.13 40.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.232 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 107' ' ' ASP . 7.6 m120 -90.97 -47.12 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 106' ' ' ASN . 17.7 m-20 -34.34 133.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.2 m -76.07 -36.94 58.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -77.96 -7.74 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.31 -59.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -45.03 -38.99 5.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.409 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 47.1 m-85 -84.36 -28.63 26.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.2 m-80 -85.7 21.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.1 p -101.61 173.47 6.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -69.99 -47.16 63.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.11 -43.95 61.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.41 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' LEU . 20.6 mt-30 -52.68 -62.58 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' GLN . 67.8 mt -37.48 -43.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -58.73 -58.76 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 23.0 mtm180 -41.23 -65.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -47.0 -51.26 17.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -47.66 -50.82 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 34.3 mm -50.39 -39.39 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -58.78 -51.9 68.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.9 m -57.97 -51.34 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 130' ' ' GLN . 29.6 mt -60.17 -63.69 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -35.19 -38.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m -61.96 -45.23 94.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -51.57 -36.46 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.482 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -84.79 -33.66 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 134' ' ' LYS . 23.5 m -71.55 -66.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -39.55 -27.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 135' ' ' HIS . 6.5 tppt? -38.62 158.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.472 ' C ' ' O ' ' A' ' 134' ' ' LYS . 6.2 m170 -32.17 99.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 34.3 -149.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.446 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.562 ' HB ' ' CZ2' ' A' ' 80' ' ' TRP . 65.6 p -73.01 -31.39 64.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 137' ' ' THR . 1.0 OUTLIER -33.18 109.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.467 HD11 ' CZ3' ' A' ' 140' ' ' TRP . 1.9 mm? -43.15 109.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.553 ' CH2' ' OE1' ' A' ' 87' ' ' GLN . 13.6 p90 -33.33 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 139' ' ' LEU . 1.2 pt? -99.02 138.58 35.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -175.79 155.35 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.0 t -119.25 158.6 25.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.2 m -119.29 -63.85 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 80.53 -162.11 45.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 109.41 2.3 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 112.309 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 34.9 p -88.45 86.39 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 60.0 p -41.38 -47.77 3.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.506 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -105.88 108.26 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.812 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -175.0 165.99 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.9 -100.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.543 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 m -60.2 104.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -100.48 131.66 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.45 165.35 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -38.43 135.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 162.77 52.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.8 152.4 53.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.481 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.75 126.88 13.83 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.283 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -65.89 169.77 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -53.2 -58.22 7.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -44.7 -60.62 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -44.88 -52.12 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 76' ' ' SER . 69.6 mt -51.12 -55.68 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 18' ' ' THR . 95.7 mt -40.06 -67.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' LEU . 4.1 m -36.99 -67.46 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.476 HG22 ' NE2' ' A' ' 87' ' ' GLN . 63.6 mt -37.15 -36.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 72' ' ' THR . 12.1 m-85 -82.16 -60.65 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' PHE . 6.1 pttp -36.93 -39.34 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -60.69 -44.22 96.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' PHE . 67.1 mt -76.85 -44.19 33.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' SER . 38.8 mtp180 -49.24 -49.44 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -35.9 -51.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 t -48.99 131.41 15.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.689 0.757 . . . . 0.0 111.085 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 4.23 2.29 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.7 p -113.75 -16.33 12.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -100.22 -26.25 13.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -76.68 7.99 4.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' CYS . 20.0 m -136.27 121.94 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' VAL . 8.2 t -37.04 105.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -44.78 -30.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.46 -72.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.3 p -98.5 -48.89 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 128.26 12.54 2.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 116.53 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -59.67 143.11 51.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.478 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.8 m-20 63.05 52.12 1.55 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.1 Cg_endo -69.88 79.98 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -40.73 -67.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.424 ' CZ2' HD13 ' A' ' 53' ' ' ILE . 76.1 m95 -48.89 147.42 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.18 124.68 8.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -89.58 113.25 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.45 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.5 mt -64.71 -49.59 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -36.36 -63.45 0.39 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -91.38 5.0 51.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.31 55.48 7.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 m -135.41 168.6 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.084 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -101.79 143.85 31.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.1 mt -140.27 168.47 19.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' ILE . 30.5 p -111.67 147.7 34.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.9 tp -34.62 -36.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' CYS . 2.2 m-20 -66.28 -58.09 6.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.79 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' GLY . 79.0 m -69.12 -54.19 16.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 55' ' ' CYS . 57.8 p -33.38 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.98 -48.89 79.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -50.18 -40.72 47.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 -179.752 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.46 ' NE2' ' CZ ' ' A' ' 112' ' ' TYR . 20.5 m-70 -69.56 -44.0 71.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -53.33 -38.06 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -66.14 -46.12 78.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 98.4 mt -44.94 -55.9 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.86 127.49 2.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 65' ' ' HIS . 29.7 m -41.53 -28.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.497 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 37.5 p-80 -73.47 -42.28 62.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' GLY . 1.1 tt -72.25 -46.41 56.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -152.67 104.93 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.94 133.7 36.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.1 mm -107.79 145.13 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -159.07 126.68 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.03 174.08 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.567 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 79.9 p -115.78 -39.8 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.95 -40.95 27.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.6 mt -82.63 -66.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.34 126.7 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 4.1 p -127.05 -21.49 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -81.99 48.53 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.45 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 7.1 m95 -73.14 178.35 4.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 80' ' ' TRP . 70.4 m -122.65 124.12 42.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.481 ' CZ2' ' HB3' ' A' ' 11' ' ' PRO . 30.8 m95 -33.82 -43.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -65.6 -51.23 61.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 79' ' ' SER . 15.0 mt-30 -58.43 -34.84 71.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.89 -62.05 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' GLN . 16.8 mmt-85 -43.88 -47.77 8.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.1 m -39.04 -42.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.412 ' C ' HD13 ' A' ' 23' ' ' LEU . 79.3 mmm -65.91 -39.86 90.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.476 ' NE2' HG22 ' A' ' 19' ' ' ILE . 16.2 mm-40 -68.17 -60.64 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.425 HG11 ' C ' ' A' ' 127' ' ' LEU . 24.0 m -51.82 -28.56 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.7 -138.95 10.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.83 160.27 8.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.432 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -54.49 -52.57 61.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -60.46 -49.76 76.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' ALA . 3.4 m -36.23 -50.06 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -74.21 -50.32 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 t -38.18 -42.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -86.77 -47.57 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.88 -56.85 4.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -50.71 -62.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.58 -51.52 20.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -43.16 -50.05 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -64.2 -58.88 5.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.26 43.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.454 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 33.5 t -108.23 81.47 1.49 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.848 0.356 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.9 t -82.42 84.03 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 94.6 m -149.04 133.17 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 107' ' ' ASP . 12.5 p-10 -91.34 -44.45 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 106' ' ' ASN . 11.1 m-20 -34.46 132.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 98.7 m -77.36 -38.82 49.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.478 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 24.7 t-20 -74.91 -8.07 55.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.24 -58.56 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.024 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -47.77 -41.51 23.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.46 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 46.5 m-85 -80.79 -30.61 35.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.5 m-80 -87.64 27.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.9 p -111.5 172.68 6.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -64.28 -54.97 24.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.02 -43.45 14.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.95 -54.01 45.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -51.69 -62.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.5 mt -37.01 -42.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 121' ' ' ARG . 22.3 t80 -57.82 -64.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 120' ' ' TYR . 13.3 mtm105 -36.99 -62.72 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -44.48 -51.71 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -49.22 -52.79 24.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 45.4 mm -49.64 -42.71 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.56 -46.15 87.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 t -58.6 -51.29 70.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.425 ' C ' HG11 ' A' ' 88' ' ' VAL . 21.5 mt -66.33 -54.82 20.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.32 -40.74 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 t -58.99 -39.23 81.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 127' ' ' LEU . 43.1 mt-30 -59.51 -59.47 5.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.458 ' O ' ' NE ' ' A' ' 84' ' ' ARG . . . -61.51 -27.13 68.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.2 m -72.73 -60.39 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.6 ptt85 -56.8 -33.83 67.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -55.16 96.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.493 ' O ' ' C ' ' A' ' 136' ' ' GLY . 90.7 m-70 63.98 44.05 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 30.07 -128.54 0.13 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 63.3 p -61.83 -43.63 98.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 111.173 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -41.12 111.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 140' ' ' TRP . 13.5 mt -51.37 105.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.429 ' C ' ' O ' ' A' ' 139' ' ' LEU . 4.0 p90 -35.49 -41.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 9.7 mt -36.06 133.35 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -47.0 -51.72 16.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.5 t -57.55 113.12 1.66 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 10.3 m -153.25 119.86 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.58 12.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 1.36 4.54 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.298 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 t -100.59 44.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 64.6 m -98.86 83.24 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.481 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.5 m -161.1 108.8 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -98.67 91.78 5.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.24 127.86 46.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -62.68 141.34 58.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 p -173.77 154.8 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.26 61.94 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -48.72 -30.13 5.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.783 0.325 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.33 158.19 11.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.35 152.57 42.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.574 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.78 138.89 38.84 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.695 2.263 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.75 173.91 8.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -49.86 -40.57 42.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -65.54 -39.37 91.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.83 -43.09 76.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.1 mt -62.12 -35.09 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.88 -31.24 70.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.6 m -68.06 -37.48 81.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.72 -25.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -87.54 -33.4 18.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -53.06 -35.83 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 tpt85 -78.13 -24.49 47.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 HD12 ' ND2' ' A' ' 29' ' ' ASN . 0.6 OUTLIER -78.8 -64.2 1.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 35.4 mtp180 -44.37 -41.3 6.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 t -40.38 -52.47 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 2.3 t -56.24 136.55 75.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.584 0.707 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.484 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.5 Cg_endo -69.81 -10.09 27.68 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.487 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 51.1 p -101.59 -12.26 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.465 ' ND2' HD12 ' A' ' 23' ' ' LEU . 64.8 m-20 -99.78 -32.1 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' CE ' ' O ' ' A' ' 24' ' ' ARG . 16.3 ptpt -74.19 5.52 4.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 m -135.41 128.42 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' GLY . 29.5 t -43.36 105.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -47.17 -24.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.07 -71.23 0.29 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.0 p -96.35 -44.79 7.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 122.29 9.8 6.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.492 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.17 126.75 26.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.402 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -68.55 145.84 53.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.7 t-20 63.01 52.65 1.65 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.4 Cg_endo -69.9 80.17 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.623 2.215 . . . . 0.0 112.318 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 p -40.25 -66.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.811 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 62.2 m95 -52.62 151.21 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.63 126.55 6.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.06 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -86.75 115.39 24.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.562 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 17.6 mt -69.68 -43.53 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.459 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 69.2 m -46.09 -53.97 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -96.79 4.0 51.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.45 44.35 21.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.94 169.28 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -106.56 136.6 46.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -134.26 171.63 13.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' ILE . 22.7 p -116.01 149.23 39.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.3 tp -31.09 -46.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.205 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -58.97 -68.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLY . 72.0 m -58.71 -58.01 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' CYS . 58.4 p -33.47 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.32 -48.49 80.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.2 m -51.08 -48.78 61.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.493 ' NE2' ' CZ ' ' A' ' 112' ' ' TYR . 23.8 m-70 -59.12 -44.83 92.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.426 ' CG ' HG13 ' A' ' 69' ' ' ILE . 68.9 mtp180 -55.31 -37.03 66.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 t -62.99 -50.49 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -45.18 -64.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.421 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 150.73 129.49 1.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -41.95 -27.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.421 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 54.9 p-80 -68.47 -47.94 65.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 65' ' ' HIS . 2.6 tt -70.07 -42.74 72.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -155.98 117.44 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -91.4 139.3 30.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.5 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 1.4 mm -114.41 154.98 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 9.5 mtp180 -167.87 131.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.5 m -78.14 156.59 29.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.8 p -98.42 -39.93 8.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.17 -52.75 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -73.15 -57.35 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.37 108.99 16.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.7 m -119.13 35.44 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -116.88 34.14 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.562 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 12.5 m95 -69.06 161.96 27.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.33 151.88 26.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.574 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 61.1 m95 -46.14 -40.73 11.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -71.0 -58.79 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -55.32 -14.99 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.2 mt -81.35 -57.34 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -59.9 -24.61 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.496 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 66.3 m -59.5 -31.58 69.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 84.3 mmm -70.09 -35.26 74.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -75.84 -64.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.446 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 22.2 m -43.65 -23.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.41 -114.14 3.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.29 164.41 15.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.42 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 28' ' ' THR . 2.0 m-20 -68.3 -56.13 9.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -54.63 -51.2 66.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ALA . 61.2 m -34.71 -53.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.18 -54.52 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.6 t -35.46 -36.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.1 m -94.62 -51.71 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -39.09 -55.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -47.89 -60.29 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -53.9 -55.21 28.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -40.04 -48.09 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -64.04 -50.65 67.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.806 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.24 47.35 0.3 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.507 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.4 m -128.17 94.95 4.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.3 t -89.83 96.21 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.0 m -138.47 146.31 41.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -117.31 -28.51 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.02 177.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.411 HG23 ' CD2' ' A' ' 112' ' ' TYR . 97.2 m -110.42 -37.44 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -84.65 1.79 44.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.28 -46.02 2.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -56.75 -45.08 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.493 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 23.0 m-85 -81.14 -22.29 39.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -89.94 17.95 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.1 p -103.6 159.34 15.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -54.28 -59.7 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -38.17 -52.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.1 -53.16 54.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 119' ' ' LEU . 24.1 mt-30 -52.2 -61.86 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 118' ' ' GLN . 62.7 mt -36.42 -40.27 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 121' ' ' ARG . 39.2 t80 -62.6 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 20.2 mtm180 -35.59 -64.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -45.89 -52.09 12.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -50.76 -51.92 45.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.403 ' CG1' ' CE1' ' A' ' 120' ' ' TYR . 24.5 mm -44.02 -40.23 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -68.33 -42.01 79.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -61.34 -41.61 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 130' ' ' GLN . 24.6 mt -78.2 -55.78 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.496 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -39.82 -31.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.9 p -72.35 -39.94 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -53.95 -35.33 61.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.483 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -88.59 -32.36 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.1 m -74.02 -64.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -42.56 -55.36 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -38.97 -70.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 140' ' ' TRP . 73.1 m80 -111.82 99.49 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -49.74 -70.13 0.88 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.406 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 11.5 p -119.89 36.98 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.178 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -129.24 161.08 31.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 142' ' ' ASP . 15.8 mt -99.45 97.27 8.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.525 ' CE2' HD21 ' A' ' 141' ' ' LEU . 9.2 p90 -38.95 -38.64 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.525 HD21 ' CE2' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -66.42 -39.4 88.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 139' ' ' LEU . 7.2 t0 -138.06 122.97 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.8 m -69.76 99.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.4 m -89.22 117.68 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.772 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.6 -164.99 0.93 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.446 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 85.99 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.4 t -98.23 146.34 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.6 t -148.38 165.84 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.473 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -102.16 -50.55 3.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 m -115.29 -60.98 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.46 67.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.436 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -86.91 105.13 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 t -166.4 112.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.19 172.46 22.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -149.53 164.47 34.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.1 -168.61 30.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -129.83 143.67 49.95 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.71 132.75 24.07 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.786 2.324 . . . . 0.0 112.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m -80.57 177.41 9.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.971 0.415 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -55.15 -57.63 10.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -44.81 -53.12 7.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.59 -51.72 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.3 mt -57.42 -34.39 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.57 -41.78 92.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -64.84 -59.89 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.573 ' CG2' ' NE2' ' A' ' 87' ' ' GLN . 95.8 mt -41.93 -38.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE1' HG23 ' A' ' 72' ' ' THR . 14.1 m-85 -80.18 -60.98 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 22' ' ' ARG . 9.3 pttp -35.97 -46.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 21' ' ' LYS . 24.3 ttt85 -53.79 -45.15 70.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' PHE . 86.7 mt -76.3 -38.33 56.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -53.0 -49.78 65.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -38.85 -42.11 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.505 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 3.9 t -59.67 137.19 89.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.694 0.759 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.505 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.4 Cg_endo -69.89 -32.21 18.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.308 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -82.65 -6.36 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -106.75 -31.31 8.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -78.19 11.56 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.5 m -133.9 125.86 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLY . 11.7 t -44.17 110.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.21 -28.98 2.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.08 -71.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 p -97.5 -47.04 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 121.96 13.12 5.1 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.25 128.17 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -68.09 142.83 55.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.483 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 9.8 m120 61.73 51.73 2.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.4 Cg_endo -69.78 80.04 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.228 . . . . 0.0 112.43 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 p -40.69 -65.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -50.89 145.39 7.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.89 124.18 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.085 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -83.45 119.43 24.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.564 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 23.4 mt -77.25 -46.69 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 26.6 m -50.03 -42.05 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' CZ ' ' HD3' ' A' ' 121' ' ' ARG . 54.0 m-85 -105.3 12.56 31.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.57 54.33 1.05 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.15 157.36 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -92.3 142.95 26.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -139.29 168.85 18.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.4 p -114.0 146.96 39.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.1 tp -32.39 -40.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' N ' HG21 ' A' ' 53' ' ' ILE . 5.9 t70 -61.7 -69.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.1 m -58.3 -55.89 29.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' CYS . 53.6 p -33.95 -33.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.77 -48.65 80.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -52.05 -47.15 65.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.92 0.39 . . . . 0.0 110.892 -179.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.461 ' NE2' ' CZ ' ' A' ' 112' ' ' TYR . 19.4 m-70 -58.68 -47.87 83.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -53.5 -38.6 63.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.1 m -60.73 -47.67 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.9 mt -48.91 -55.71 10.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.472 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 141.32 125.12 2.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -36.55 -34.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.472 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 51.0 p-80 -64.22 -46.44 83.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -67.75 -49.48 62.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.88 105.48 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -78.45 131.31 36.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.8 mm -111.03 136.55 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -147.96 129.29 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 t -69.71 162.52 27.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.559 HG23 ' CE1' ' A' ' 20' ' ' PHE . 66.4 p -103.52 -27.82 12.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -104.79 -45.77 4.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.47 37.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -171.22 115.93 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -119.69 35.48 4.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -121.78 40.03 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.564 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.7 m95 -81.92 146.53 29.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' TRP . 12.1 p -97.99 138.94 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.571 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 94.8 m95 -36.43 -41.69 0.3 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -66.63 -61.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -49.94 -32.45 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 19' ' ' ILE . 12.9 mt -65.41 -67.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.43 ' NH1' HD13 ' A' ' 19' ' ' ILE . 45.3 mmt-85 -49.2 -40.1 32.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 82.3 m -45.12 -23.06 0.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 77.9 mmm -86.83 -40.94 14.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.573 ' NE2' ' CG2' ' A' ' 19' ' ' ILE . 89.8 mt-30 -73.02 -26.13 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.6 m -91.47 19.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -135.11 -96.11 0.51 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.07 163.87 26.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.19 -70.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -40.64 -50.2 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ALA . 5.3 m -34.11 -50.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -74.82 -51.55 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 94' ' ' ALA . 25.9 t -35.05 -37.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' PHE . 30.6 t -95.27 -54.91 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.4 t80 -34.45 -51.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -51.62 -50.94 59.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -65.81 -47.77 73.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -43.75 -48.39 8.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -66.02 -44.79 83.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.8 44.77 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 t -130.29 95.54 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.0 m -102.59 89.31 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.8 m -135.71 140.14 44.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 107' ' ' ASP . 24.7 m-80 -94.02 -49.82 5.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 106' ' ' ASN . 24.5 m-20 -34.34 133.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 96.9 m -77.79 -31.15 51.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.494 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 22.3 t-20 -81.97 -9.01 59.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.83 -54.67 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -47.71 -41.32 22.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.461 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 46.4 m-85 -83.27 -28.06 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 26.2 m-80 -87.15 20.63 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 p -101.06 171.19 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -67.15 -49.95 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.95 -42.56 48.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.74 76.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' LEU . 25.7 mt-30 -53.41 -60.36 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' GLN . 58.2 mt -36.82 -45.65 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 121' ' ' ARG . 18.6 t80 -57.21 -66.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.47 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 28.6 mtm180 -34.71 -64.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -46.96 -56.96 5.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -41.22 -56.97 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 30.9 mm -48.55 -36.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.38 -52.74 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.9 m -58.12 -65.28 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 130' ' ' GLN . 29.1 mt -47.82 -53.96 13.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.486 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -35.32 -33.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 127' ' ' LEU . 23.8 p -72.53 -45.23 60.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.8 pt20 -46.14 -26.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -103.83 -21.09 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.2 m -95.45 -61.13 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.484 ' O ' ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -58.46 -33.85 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 133' ' ' ARG . 49.3 tttt -31.47 -64.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -124.44 -44.87 1.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' THR . . . 83.6 145.02 6.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.507 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.518 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 72.3 p 34.88 44.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.34 . . . . 0.0 111.125 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -170.59 107.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 140' ' ' TRP . 3.6 mp -49.06 97.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.522 ' CG ' ' N ' ' A' ' 141' ' ' LEU . 7.2 p90 -30.62 -49.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.522 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 0.8 OUTLIER -82.0 145.26 30.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.951 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -159.78 129.32 5.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 35.3 p -111.46 -43.61 3.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 8.4 t -111.48 -52.49 2.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 121.43 138.51 5.47 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 127.69 15.0 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.658 2.238 . . . . 0.0 112.357 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.8 t -84.11 147.79 27.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.9 t -101.75 129.28 47.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.536 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -39.5 141.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -55.54 119.94 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.3 129.85 32.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -108.88 177.51 4.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 110.902 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m -45.93 -55.2 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.02 151.9 23.56 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.522 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -117.8 156.68 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.94 147.98 28.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -86.61 153.87 55.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.541 0.686 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.543 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.68 136.67 33.82 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -79.43 162.35 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -45.19 -60.29 2.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -41.76 -56.89 2.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -52.1 -48.63 64.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.69 -34.27 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.66 -34.55 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -70.14 -37.66 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 83' ' ' LEU . 71.1 mt -67.66 -31.11 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -85.22 -47.97 9.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -36.94 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' CZ ' HD21 ' A' ' 141' ' ' LEU . 6.1 mtt180 -64.77 -38.16 90.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.3 mt -81.25 -58.45 3.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 25' ' ' SER . 7.5 mtp-105 -39.27 -46.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' ARG . 35.7 t -37.13 -51.51 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.41 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 7.5 t -52.21 134.62 41.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.66 0.743 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.1 Cg_endo -69.68 5.95 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.3 p -115.34 -15.82 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -99.77 -28.14 13.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -75.6 6.08 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 m -134.77 127.63 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' GLY . 12.3 t -43.5 114.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -51.1 -30.39 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -66.94 -71.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.2 p -98.16 -48.11 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.44 9.41 4.5 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.427 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.01 121.89 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.09 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -65.85 143.97 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.456 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 94.6 m-20 62.14 53.51 2.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.71 82.27 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.38 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.49 -43.04 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -72.91 142.3 47.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.35 125.44 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 t -89.25 114.06 25.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.486 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -66.44 -43.54 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.555 HG23 ' CD1' ' A' ' 47' ' ' TYR . 29.9 m -41.98 -54.95 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CD1' HG23 ' A' ' 46' ' ' THR . 57.0 m-85 -100.19 7.57 44.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.37 45.76 16.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 m -124.83 164.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -101.6 131.96 47.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -125.45 175.71 7.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.1 p -119.44 151.19 38.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.5 tp -34.22 -41.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' N ' HG22 ' A' ' 53' ' ' ILE . 2.5 m-20 -63.95 -74.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 56' ' ' SER . 76.8 m -51.16 -57.19 9.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' CYS . 69.3 p -31.56 -40.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.49 -49.82 59.28 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.3 m -51.38 -40.24 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.881 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -67.71 -43.35 80.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -53.63 -34.21 57.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.5 m -68.37 -50.7 51.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.9 mt -42.09 -49.07 4.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 130.39 127.96 2.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -38.7 -35.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -64.5 -43.93 92.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 63' ' ' GLY . 2.4 tt -71.53 -43.0 67.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -157.96 112.87 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -86.49 132.61 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 mm -107.51 133.89 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -146.85 127.7 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 m -68.89 -177.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.9 p -125.39 -38.32 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -79.94 -37.21 35.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mp -91.73 -62.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.96 112.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 p -112.48 -22.69 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -76.01 53.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.486 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.3 m95 -85.74 134.31 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 80' ' ' TRP . 53.3 p -81.67 129.87 34.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.543 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 70.9 m95 -32.93 -39.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 128' ' ' ALA . 44.2 t80 -68.17 -59.11 3.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -47.05 -39.96 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 19' ' ' ILE . 7.7 mt -57.32 -63.54 1.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 131' ' ' ALA . 50.4 mmt-85 -51.09 -46.42 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.8 m -39.2 -32.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 81.6 mmm -72.85 -46.2 54.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' ARG . 19.7 mt-30 -65.47 -59.85 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 26.8 m -45.96 -22.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.8 -121.19 4.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.26 159.87 10.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.429 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -61.55 -61.44 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -50.26 -51.6 43.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' ALA . 2.7 m -34.36 -53.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -70.72 -53.11 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 94' ' ' ALA . 21.5 t -34.87 -36.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' ALA . 50.7 m -96.62 -52.25 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' SER . 26.3 t80 -36.0 -56.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.791 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.502 ' CZ ' ' HE2' ' A' ' 111' ' ' LYS . 32.4 m-85 -45.98 -52.01 12.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.5 t-160 -67.97 -58.25 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 99' ' ' HIS . 80.1 mm-40 -36.76 -45.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -66.47 -49.78 65.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.09 43.14 0.3 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.3 m -128.31 114.53 17.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.6 p -115.31 82.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.8 m -135.18 143.28 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' ASP . 3.5 p30 -98.93 -47.76 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' ASN . 57.7 m-20 -33.78 131.04 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.0 m -75.31 -33.24 61.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 21.1 t-20 -81.15 -10.43 59.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.77 -59.14 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.502 ' HE2' ' CZ ' ' A' ' 98' ' ' PHE . 55.9 tttt -45.09 -42.99 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -78.9 -31.45 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.1 m-80 -85.73 22.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 p -101.19 175.49 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -66.77 -53.32 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.811 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.21 -50.21 39.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.15 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -59.6 -59.36 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 68.4 mt -44.66 -33.91 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -64.83 -49.66 69.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.467 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 8.1 mtm105 -56.75 -58.7 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 7.6 pt-20 -49.93 -40.94 45.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' ' 122' ' ' GLU . 3.8 ttmm -60.31 -47.41 86.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 46.0 mm -54.89 -32.49 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -64.78 -53.24 50.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.1 t -58.45 -49.67 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 130' ' ' GLN . 11.2 mt -59.81 -59.4 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 81' ' ' PHE . . . -36.46 -31.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.7 m -68.31 -44.73 74.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.7 pt20 -51.84 -44.39 63.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.465 ' HB3' ' CG ' ' A' ' 84' ' ' ARG . . . -77.19 -40.11 46.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.4 m -63.66 -68.76 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -44.61 -40.6 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.94 120.61 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 136' ' ' GLY . 45.4 m170 42.11 47.44 3.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 32.7 -136.24 0.15 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.538 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.495 HG21 ' CD1' ' A' ' 80' ' ' TRP . 58.8 p -78.7 52.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.177 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 140' ' ' TRP . 38.7 t70 -136.9 118.96 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 140' ' ' TRP . 3.1 mm? -35.82 93.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.504 ' CE2' HD12 ' A' ' 141' ' ' LEU . 19.9 p90 -31.26 -41.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.504 HD12 ' CE2' ' A' ' 140' ' ' TRP . 4.7 mp -37.43 153.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.2 147.78 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.2 p -67.17 97.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 83.8 p -93.29 -44.71 8.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.783 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -175.5 144.0 6.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 88.94 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.393 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.1 m -112.59 91.26 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.8 t -87.86 -56.28 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.8 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.559 -179.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t -149.2 142.84 25.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -65.2 151.53 45.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.07 67.37 0.17 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 p -54.85 166.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 m -103.4 147.93 26.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.79 57.43 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.6 ttt -72.97 120.17 18.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.88 -149.54 25.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -125.04 137.91 30.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.541 0.686 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.548 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.3 Cg_endo -69.7 120.84 7.57 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -77.87 164.11 25.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -41.7 -56.59 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -42.92 -62.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -51.57 -48.75 63.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.79 -35.4 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.74 -44.71 92.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' LYS . 49.4 m -56.8 -67.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.485 ' CG2' ' OE1' ' A' ' 87' ' ' GLN . 15.4 mt -39.36 -33.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CZ ' HG21 ' A' ' 72' ' ' THR . 9.0 m-85 -84.62 -34.76 23.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -63.17 -35.17 79.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -70.26 -40.15 74.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.3 mp -73.17 -59.24 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' SER . 31.1 mtp180 -40.83 -51.16 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' ARG . 32.4 t -38.07 -39.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 25.8 t -62.24 136.68 95.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.3 Cg_endo -69.8 12.97 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.456 ' H ' ' C ' ' A' ' 26' ' ' VAL . 32.3 p -123.96 -15.89 6.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -102.25 -22.27 14.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -79.97 7.01 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 15.9 m -137.9 127.87 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' GLY . 6.7 t -45.1 116.2 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -50.81 -33.33 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -63.77 -71.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.4 p -99.77 -47.27 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 123.56 12.33 4.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.16 120.01 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -59.29 143.34 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.4 m120 62.65 54.75 2.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.3 Cg_endo -69.82 79.92 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 p -42.21 -66.87 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.471 ' CZ2' HD13 ' A' ' 53' ' ' ILE . 70.8 m95 -51.91 149.07 5.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.1 126.58 10.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.148 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -92.24 111.01 22.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.557 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.1 mt -64.79 -42.54 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 m -39.2 -62.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -95.8 11.27 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.41 43.66 10.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.3 m -121.37 169.8 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -102.74 143.67 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.5 mt -138.16 166.99 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 29.0 p -112.45 146.6 38.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 54' ' ' ASP . 2.0 tp -31.93 -38.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.475 ' N ' HG22 ' A' ' 53' ' ' ILE . 2.0 t70 -66.26 -71.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 57' ' ' GLY . 80.5 m -53.12 -55.78 21.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' CYS . 55.4 p -32.98 -35.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.65 -49.47 65.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -49.49 -48.42 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.629 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 26.8 m-70 -60.63 -48.9 79.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 10.9 mtp-105 -52.59 -37.58 58.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 m -62.46 -48.14 80.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -48.5 -53.28 18.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 140.72 123.95 2.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 m -37.82 -28.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.553 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 23.6 p-80 -69.91 -45.45 67.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -67.83 -50.44 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 105.48 3.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -76.46 129.05 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -109.92 136.3 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -146.16 139.41 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.4 m -83.73 151.92 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.455 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 52.1 p -95.18 -51.3 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -73.35 -65.29 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.66 -62.04 1.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.67 125.21 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 m -128.39 30.86 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -117.37 40.48 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.557 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.6 m95 -72.71 171.15 13.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' TRP . 8.3 m -113.91 137.34 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.809 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.548 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 37.2 m95 -36.55 -55.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -56.41 -45.84 80.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -66.91 -27.3 67.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.408 ' HB3' ' CD1' ' A' ' 19' ' ' ILE . 1.3 mm? -66.9 -50.35 62.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 87' ' ' GLN . 10.1 mmt-85 -62.35 -40.98 98.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 91.1 m -38.2 -49.45 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.418 ' C ' HD21 ' A' ' 23' ' ' LEU . 64.4 mmm -62.76 -34.78 77.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 84' ' ' ARG . 9.3 mt-30 -73.46 -42.37 62.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.411 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 23.3 m -79.86 15.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.81 -104.3 0.66 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.36 162.47 37.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.475 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -56.73 -65.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.902 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -33.48 -63.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -31.17 -64.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.437 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -65.17 -45.48 84.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.0 t -38.65 -36.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.792 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 97' ' ' PHE . 66.7 m -102.06 -48.56 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 96' ' ' SER . 11.5 t80 -35.3 -53.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -55.08 -61.62 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -48.34 -54.21 14.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -45.46 -40.63 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 102' ' ' GLY . 20.5 m-70 -90.34 37.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 101' ' ' HIS . . . 36.06 48.78 1.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.548 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.4 m -133.77 81.25 1.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.775 0.322 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -101.01 42.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 43.0 m -71.37 122.38 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -79.98 -35.3 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.84 173.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 73.2 m -115.04 -42.17 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 12.9 t-20 -75.77 -8.16 56.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.12 -49.84 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.476 ' NZ ' ' CE1' ' A' ' 112' ' ' TYR . 17.9 tttm -50.95 -43.96 60.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.629 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 50.9 m-85 -81.39 -25.79 35.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 30.2 m-80 -88.72 22.09 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 p -105.26 172.91 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -65.61 -56.2 13.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.79 -51.18 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.27 75.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.0 -58.75 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.1 mt -41.16 -36.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 121' ' ' ARG . 21.7 t80 -65.26 -63.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 120' ' ' TYR . 14.1 mtm105 -33.9 -63.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -45.83 -57.98 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -41.22 -54.12 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.3 mm -44.66 -48.1 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -50.85 -57.95 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.0 t -51.06 -65.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.411 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 18.3 mt -51.38 -34.32 33.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.16 90.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 94.2 p -58.58 -37.91 76.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -50.95 -72.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.06 -50.21 20.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -58.7 -75.68 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 134' ' ' LYS . 9.6 ttm105 -41.33 -43.54 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 133' ' ' ARG . 12.6 tptm -28.7 -71.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -125.47 45.69 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 44.21 -123.63 5.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.507 HG21 ' CD1' ' A' ' 80' ' ' TRP . 62.6 p -75.1 -45.66 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -49.81 89.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -40.89 111.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.509 ' C ' ' O ' ' A' ' 139' ' ' LEU . 0.7 OUTLIER -28.56 -41.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' LEU . 6.0 mt -42.93 150.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -85.9 46.84 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.2 t -84.56 147.99 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 51.8 p -120.8 147.54 45.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 144.37 176.82 18.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 162.17 43.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 66.8 m -120.51 176.78 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 23.3 t -116.22 161.0 19.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.408 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 p -48.38 -45.94 36.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.906 0.384 . . . . 0.0 110.819 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -47.25 150.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.09 67.11 1.42 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -97.94 123.44 41.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -116.95 149.04 40.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.21 44.11 94.35 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.62 94.27 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.21 -177.23 41.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.84 151.14 51.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.0 Cg_endo -69.75 153.33 69.1 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.669 2.246 . . . . 0.0 112.408 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.6 m -90.4 168.23 12.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -52.12 -55.77 18.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -50.12 -53.29 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.36 -48.61 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.5 mt -61.49 -43.2 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -48.58 -37.63 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' ILE . 1.5 m -64.55 -67.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.49 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 3.4 mp -33.27 -38.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.506 ' CZ ' HG21 ' A' ' 72' ' ' THR . 26.3 m-85 -82.44 -55.28 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -42.36 -40.33 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 3.7 tpm_? -61.15 -39.48 90.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.802 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 24' ' ' ARG . 53.6 mt -83.24 -59.34 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 23' ' ' LEU . 67.7 mtp180 -34.95 -48.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.0 p -39.3 -47.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 8.6 t -57.53 135.96 82.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.455 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.9 Cg_endo -69.78 3.91 2.51 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.728 2.285 . . . . 0.0 112.36 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 80.4 p -114.66 -4.49 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -113.47 -22.88 10.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -82.37 9.31 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 m -134.62 117.43 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' GLY . 3.0 t -37.48 116.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -49.33 -34.69 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.22 -69.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.3 p -103.69 -46.75 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.19 11.25 3.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.47 127.32 9.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -68.1 139.38 56.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.492 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 71.5 m-80 62.8 51.63 1.58 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.0 Cg_endo -69.85 79.67 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -43.21 -63.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -51.71 145.79 8.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.59 135.28 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 5.0 t -92.06 99.35 12.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.516 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 14.7 mt -50.65 -51.11 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 121' ' ' ARG . 74.8 m -39.72 -60.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -92.4 4.5 53.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.976 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' SER . . . 46.46 40.86 11.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 m -115.07 165.54 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -100.6 132.97 45.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' A' ' 59' ' ' HIS . 42.6 mt -129.05 164.54 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 53' ' ' ILE . 29.9 p -109.56 151.38 26.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.1 tp -32.07 -48.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.87 -71.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 56' ' ' SER . 61.8 m -53.52 -58.78 5.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' CYS . 85.0 p -33.75 -37.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.3 -48.35 64.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -52.43 -50.22 63.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.915 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.602 ' NE2' ' CE2' ' A' ' 112' ' ' TYR . 14.4 m-70 -57.51 -41.64 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' CG ' HG13 ' A' ' 69' ' ' ILE . 70.8 mtp180 -54.75 -37.93 66.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.7 t -68.43 -41.21 80.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.2 mt -44.3 -56.31 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 142.46 127.84 2.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -38.26 -31.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -75.48 -43.4 49.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.7 OUTLIER -66.9 -49.15 66.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.1 m -155.45 104.99 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -82.99 128.42 34.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 1.3 mm -106.65 152.65 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 21.3 mtt-85 -165.51 122.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 m -55.56 154.06 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.506 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 17.9 p -105.48 -38.79 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -81.35 -43.46 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.1 mt -81.97 -70.57 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.96 124.13 19.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.7 m -127.43 32.63 4.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.55 40.52 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.516 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 7.2 m95 -71.55 157.16 38.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -96.48 138.79 33.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.552 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 66.8 m95 -41.82 -49.11 4.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -65.81 -46.91 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -61.72 -18.66 60.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.5 mt -78.53 -61.92 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -49.45 -33.82 15.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 70.7 m -52.99 -38.24 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.2 mmm -66.8 -46.41 75.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 19' ' ' ILE . 89.4 mt-30 -68.62 -59.61 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.0 -16.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -107.38 -111.76 3.58 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.05 172.89 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 28' ' ' THR . 2.7 m-20 -73.37 -67.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -40.97 -52.74 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ALA . 66.8 m -34.38 -56.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.32 -48.68 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.038 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.6 t -41.39 -38.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.0 m -91.63 -46.98 7.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' PHE . 6.8 t80 -45.69 -54.63 7.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -51.36 -52.71 43.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' GLN . 15.5 t-160 -57.19 -54.74 43.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' HIS . 7.1 mm-40 -33.87 -48.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -71.33 -57.78 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.22 42.65 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 20.2 t -123.95 97.02 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.4 m -130.32 80.26 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 111' ' ' LYS . 13.2 t -102.71 6.2 39.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.168 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 40.78 43.27 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.74 -172.96 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 112' ' ' TYR . 61.8 m -127.26 -36.47 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.99 -3.12 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.8 -48.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.049 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 105' ' ' THR . 30.3 tttm -60.98 -42.15 97.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.602 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 40.3 m-85 -80.54 -30.44 37.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -84.02 17.88 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 p -101.38 -175.48 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -76.13 -50.74 13.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.84 -48.84 30.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.08 -52.33 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.4 ' NE2' ' HE ' ' A' ' 121' ' ' ARG . 25.2 mm-40 -50.01 -60.9 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.1 mt -38.11 -38.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 121' ' ' ARG . 20.4 t80 -67.18 -63.27 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 120' ' ' TYR . 10.9 mtm105 -36.62 -61.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.58 -53.66 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -46.59 -51.05 16.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 24.2 mm -50.62 -50.24 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -51.39 -39.28 56.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.8 m -71.25 -57.77 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 17.3 mt -55.34 -32.49 62.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.426 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -72.18 -20.84 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.1 m -78.05 -33.09 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.551 ' CG ' ' N ' ' A' ' 131' ' ' ALA . 5.4 pt20 -60.55 -50.73 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 130' ' ' GLN . . . -70.14 -33.17 71.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.0 m -74.18 -68.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.554 ' O ' ' C ' ' A' ' 134' ' ' LYS . 6.2 mtt-85 -40.45 -52.61 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.554 ' C ' ' O ' ' A' ' 133' ' ' ARG . 0.9 OUTLIER -25.03 -69.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.547 ' CG ' ' HB3' ' A' ' 138' ' ' ASP . 2.3 t-80 -130.59 -44.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.15 -126.28 8.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.509 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 13.9 p -41.81 -32.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.751 0.31 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.547 ' HB3' ' CG ' ' A' ' 135' ' ' HIS . 8.4 t70 -73.4 117.41 15.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.805 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 141' ' ' LEU . 10.7 mt -65.8 89.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.458 ' C ' ' O ' ' A' ' 139' ' ' LEU . 1.0 OUTLIER -32.99 -33.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 139' ' ' LEU . 7.0 mt -44.11 -62.38 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.41 153.51 31.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.1 t -52.81 120.82 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 89.7 p -82.2 137.6 34.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -66.79 145.07 46.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 159.32 53.89 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.2 m -100.77 42.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.7 m -52.79 124.2 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.519 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -49.11 175.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.798 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -102.63 115.52 30.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.66 47.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 p -102.33 142.14 34.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.411 . . . . 0.0 110.809 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -116.66 155.29 29.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.22 88.96 0.23 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.564 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.486 ' HE1' ' CD1' ' A' ' 80' ' ' TRP . 1.3 ptt? -118.86 173.41 6.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.4 110.44 3.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.565 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -49.65 152.57 2.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.0 Cg_endo -69.73 119.93 6.8 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -75.08 167.84 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -39.01 -67.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -37.79 -67.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -41.84 -53.29 3.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.0 mt -52.43 -39.12 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.46 -37.07 77.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 1.2 m -61.15 -37.44 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.479 HG23 ' NE2' ' A' ' 87' ' ' GLN . 53.9 mt -77.17 -27.54 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -84.34 -28.46 27.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 18' ' ' THR . 12.1 pttm -61.94 -36.58 81.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' NH1' HD13 ' A' ' 141' ' ' LEU . 12.1 mtp85 -68.05 -35.27 77.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.28 -57.92 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -42.5 -50.68 5.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.4 t -38.79 -49.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -55.11 132.1 68.51 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.597 0.713 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 3.04 3.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.583 2.189 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.419 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 69.1 p -112.71 -11.52 13.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -105.6 -25.64 12.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -76.59 5.81 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.8 m -134.4 130.27 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.0 t -43.5 104.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -45.95 -22.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -74.08 -71.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.3 p -96.64 -45.91 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.84 8.29 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.16 127.21 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -68.77 146.01 53.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 37.0 m-80 62.11 51.78 1.93 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.683 0.754 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.5 Cg_endo -69.74 80.35 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.265 . . . . 0.0 112.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 p -41.58 -68.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.416 ' NE1' ' HA ' ' A' ' 53' ' ' ILE . 74.2 m95 -48.5 148.9 1.81 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.48 124.58 6.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -85.12 115.93 23.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.562 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -67.62 -50.04 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.54 HG23 ' CD1' ' A' ' 47' ' ' TYR . 13.3 m -43.66 -57.46 3.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.54 ' CD1' HG23 ' A' ' 46' ' ' THR . 63.7 m-85 -90.48 1.52 56.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.35 51.7 11.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 m -132.41 164.71 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -99.83 145.3 27.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.8 mt -141.23 168.61 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.2 p -111.7 149.39 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.474 HG23 ' N ' ' A' ' 54' ' ' ASP . 3.4 tp -35.1 -32.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.474 ' N ' HG23 ' A' ' 53' ' ' ILE . 25.7 t0 -69.48 -71.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLY . 84.2 m -56.21 -53.09 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' CYS . 57.1 p -33.24 -35.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -59.38 -48.86 83.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.424 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.2 m -51.08 -44.53 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.887 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.456 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 11.9 m-70 -64.3 -44.03 92.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -54.95 -40.23 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.9 m -61.72 -49.32 76.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.0 mt -43.85 -60.74 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.44 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 148.82 131.37 2.0 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.534 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.8 m -46.85 -24.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.44 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 37.3 p-80 -75.79 -38.74 57.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.37 -40.86 57.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -157.49 108.57 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -84.62 125.4 32.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 mm -101.32 133.73 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -147.96 125.21 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.8 m -65.04 171.6 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.0 p -112.32 -37.04 5.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -81.82 -45.0 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.01 -68.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.43 114.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.3 p -116.85 -17.75 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -84.65 47.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.562 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.5 m95 -70.81 -175.13 1.03 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' TRP . 3.0 m -130.03 125.26 34.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.544 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 10.8 m95 -34.19 -44.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -64.2 -51.12 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 79' ' ' SER . 93.1 mt-30 -60.3 -25.53 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.38 -70.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 87' ' ' GLN . 16.1 mmt-85 -43.59 -44.82 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.8 m -40.13 -37.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.1 mmm -70.05 -38.57 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.537 ' OE1' ' CH2' ' A' ' 140' ' ' TRP . 21.8 mt-30 -76.1 -64.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.407 HG11 ' C ' ' A' ' 127' ' ' LEU . 27.3 m -39.47 -27.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' GLN . . . -112.44 -117.0 3.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.55 161.29 12.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 28' ' ' THR . 5.4 m-20 -46.7 -68.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -41.35 -56.7 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.7 OUTLIER -33.02 -59.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.76 -41.83 64.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t -40.41 -36.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' PHE . 8.2 m -99.76 -51.42 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.8 t80 -34.09 -57.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -48.32 -53.74 16.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.04 -48.36 82.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -41.67 -51.25 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -62.96 -54.63 35.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.39 45.29 0.15 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.4 t -122.43 79.45 1.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.4 m -80.58 44.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 106' ' ' ASN . 82.1 m -105.74 135.77 46.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 107' ' ' ASP . 50.8 m-20 -95.96 -40.71 9.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 106' ' ' ASN . 11.9 m-20 -34.17 130.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 64.2 m -74.71 -37.79 62.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.487 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 15.6 t-20 -77.82 -8.58 58.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.8 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.05 -61.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -44.74 -38.25 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.456 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 60.0 m-85 -85.94 -22.81 27.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 7.7 m-80 -87.7 21.57 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.0 p -113.79 165.45 12.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -42.33 95.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.08 -20.5 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.18 -44.33 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.545 ' CG ' ' N ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -62.37 -51.49 67.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 62.6 mt -45.82 -31.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -74.66 -56.2 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.47 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 25.0 mtm180 -45.73 -61.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -46.46 -46.88 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -53.58 -52.77 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 mm -50.96 -35.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -68.93 -45.31 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.1 m -63.34 -47.75 80.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 130' ' ' GLN . 50.7 mt -66.35 -55.5 15.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -36.38 -36.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -64.92 -44.06 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -52.6 -37.34 58.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -86.0 -39.24 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 54.0 m -63.01 -65.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -44.13 -48.44 9.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.91 124.15 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 136' ' ' GLY . 45.1 m-70 38.32 38.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 33.8 -117.21 0.18 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 53.5 p -65.4 -50.36 65.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -43.03 101.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 140' ' ' TRP . 6.2 mp -43.23 114.1 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.537 ' CH2' ' OE1' ' A' ' 87' ' ' GLN . 5.4 p90 -34.97 -45.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.51 HD21 ' CE2' ' A' ' 140' ' ' TRP . 0.7 OUTLIER -86.9 151.05 23.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -100.07 111.68 23.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.8 t -98.69 -57.41 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.403 ' C ' ' HD3' ' A' ' 146' ' ' PRO . 2.8 t -131.27 165.76 22.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -111.8 62.84 0.29 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' ' 144' ' ' SER . 53.0 Cg_endo -69.75 150.19 67.97 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.7 m -103.61 89.68 3.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 149' ' ' GLY . 16.8 t -130.62 152.4 50.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.78 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 148' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.188 -0.785 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -142.55 163.79 31.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.359 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -107.71 -57.16 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.12 -146.78 18.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -81.37 41.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -44.75 160.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.93 73.06 0.95 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.2 ttp -115.29 124.54 51.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.801 0.334 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.32 103.81 1.01 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -48.23 156.42 0.78 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.74 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.75 140.35 42.49 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.686 2.258 . . . . 0.0 112.371 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.8 m -87.15 170.47 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -42.98 -62.44 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -45.61 -58.94 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -46.87 -53.49 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.1 mt -55.61 -49.08 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -45.03 -38.11 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' PHE . 21.6 m -60.52 -70.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 18' ' ' THR . 2.0 mp -32.45 -35.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 72' ' ' THR . 23.3 m-85 -80.95 -57.22 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' PHE . 7.2 pttp -36.71 -35.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -66.75 -43.91 82.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' PHE . 23.1 mt -82.46 -54.02 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.44 ' HG3' ' C ' ' A' ' 20' ' ' PHE . 17.3 mtm180 -38.83 -50.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.7 t -46.77 -45.29 19.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 t -50.41 127.86 23.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.716 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 1.56 4.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.4 p -112.18 -9.3 13.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' HA ' ' CG ' ' A' ' 91' ' ' ASN . 97.4 m-20 -109.16 -22.76 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -79.07 12.47 2.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.0 m -132.47 120.91 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.4 t -39.68 103.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.613 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -41.93 -27.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.9 -72.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.84 -47.86 5.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.46 11.91 3.58 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.382 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.19 123.51 9.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -69.03 135.46 50.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 6.1 m120 71.04 50.84 0.33 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.8 80.12 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -41.76 -51.48 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.8 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -63.42 146.57 53.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.72 130.91 14.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.061 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -95.66 116.93 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.79 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.534 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 9.5 mt -71.35 -41.82 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 43.9 m -44.8 -54.63 6.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.473 ' O ' ' C ' ' A' ' 48' ' ' GLY . 7.2 m-85 -103.63 22.63 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 32.0 51.37 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.529 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.41 166.4 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.81 151.52 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.1 mt -146.24 169.72 18.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.5 p -114.77 147.28 39.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.5 tp -32.3 -40.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' CYS . 76.1 m-20 -63.11 -66.4 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 56' ' ' SER . 74.0 m -60.9 -56.94 15.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.8 p -32.54 -38.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.95 -48.84 70.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.0 m -51.19 -47.14 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.546 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 14.1 m-70 -60.62 -46.04 91.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -54.81 -37.45 66.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -61.35 -48.78 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.46 -58.45 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.5 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 146.65 123.0 1.44 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.46 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' GLY . 31.7 m -36.76 -32.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.103 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.5 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 44.3 p-80 -66.54 -46.64 75.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.9 OUTLIER -67.36 -48.25 68.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.99 105.29 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -78.4 132.84 37.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 mm -113.78 140.26 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -148.66 143.21 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -83.68 155.83 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.57 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 40.4 p -103.69 -35.3 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.081 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.7 -42.11 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mp -87.05 -65.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.28 114.67 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -124.1 36.08 4.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -122.22 33.27 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.534 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 13.8 m95 -66.62 151.49 47.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' TRP . 16.4 m -101.4 139.13 37.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 11' ' ' PRO . 45.6 m95 -36.31 -38.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -67.65 -58.52 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.23 -25.7 61.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.1 mt -69.06 -65.88 0.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.7 mmt-85 -52.92 -35.13 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.8 m -49.5 -32.3 11.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.428 ' C ' HD11 ' A' ' 23' ' ' LEU . 87.8 mmm -72.03 -40.93 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.464 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 21.6 mt-30 -71.35 -61.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 28.2 m -46.17 -20.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 87' ' ' GLN . . . -110.59 -102.75 2.71 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.92 154.4 30.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.486 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -45.89 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -32.8 -59.66 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -32.86 -61.66 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.755 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' SER . . . -71.46 -45.57 62.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 94' ' ' ALA . 46.5 t -34.73 -35.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' PHE . 13.3 m -105.52 -49.38 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.9 t80 -34.12 -38.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.05 -53.35 31.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 96' ' ' SER . 3.4 t-160 -67.78 -53.31 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.434 ' CD ' ' HA ' ' A' ' 97' ' ' PHE . 7.9 pt20 -45.39 -44.58 12.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.416 ' N ' ' CG ' ' A' ' 100' ' ' GLN . 21.9 t60 -62.04 -59.14 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.59 42.71 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 38.2 t -121.49 95.42 4.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.0 p -96.47 80.89 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.4 m -139.9 134.96 32.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 107' ' ' ASP . 20.2 t-20 -91.67 -46.81 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -36.68 132.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.9 m -75.88 -38.31 57.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.493 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 9.7 t-20 -75.25 -12.33 60.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.6 -59.44 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -43.85 -44.09 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.546 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 35.5 m-85 -78.06 -30.36 49.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 10.5 m-80 -83.86 22.45 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 p -104.59 177.08 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -70.13 -53.81 15.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.6 -39.13 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.86 -52.51 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.66 -61.05 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.6 mt -37.25 -42.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.431 ' O ' ' C ' ' A' ' 121' ' ' ARG . 59.4 t80 -61.45 -65.5 0.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.466 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 29.5 mtm180 -35.02 -64.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -45.24 -53.31 8.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -46.4 -48.32 18.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 40.3 mm -52.71 -40.63 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -63.56 -39.44 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 t -68.54 -57.35 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 17.2 mt -58.44 -43.54 88.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.15 -44.72 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.427 ' HG ' ' N ' ' A' ' 130' ' ' GLN . 54.5 p -54.16 -42.26 69.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.427 ' N ' ' HG ' ' A' ' 129' ' ' SER . 16.2 mm-40 -52.93 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.94 39.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 86.9 m -62.14 -75.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -40.84 -52.8 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 135' ' ' HIS . 0.8 OUTLIER -46.05 143.12 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' A' ' 134' ' ' LYS . 2.4 p-80 39.15 32.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 32.69 -131.87 0.25 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 138' ' ' ASP . 45.5 p -68.5 -36.33 78.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 111.139 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' THR . 11.4 t70 -36.19 107.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -60.07 108.9 0.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.535 ' CG ' ' N ' ' A' ' 141' ' ' LEU . 2.5 p90 -55.32 -46.94 76.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.535 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 6.0 mt -61.02 92.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -49.78 169.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.798 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.9 m -131.36 123.45 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.4 m -39.39 -46.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -73.65 164.26 54.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.392 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -175.6 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.1 m -65.19 164.44 13.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 16.6 m 47.29 42.04 13.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.506 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -128.69 -55.29 1.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -103.67 107.33 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -62.8 2.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -101.99 -58.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 m -97.42 133.8 41.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.02 -57.97 0.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.446 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttp -43.09 -40.33 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.502 ' O ' ' NE1' ' A' ' 80' ' ' TRP . . . 76.59 130.9 0.41 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.53 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.08 149.02 69.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.521 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.82 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.6 m -72.5 166.75 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -42.53 -60.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -41.26 -63.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.72 -55.04 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.9 mt -50.67 -33.58 11.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.29 -38.11 63.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -64.97 -31.66 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 mt -80.44 -29.53 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.545 ' CZ ' HG21 ' A' ' 72' ' ' THR . 6.9 m-85 -81.9 -37.77 26.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -52.11 -35.23 47.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -73.79 -27.28 61.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' HD13 ' A' ' 23' ' ' LEU . 10.8 mp -83.2 -55.72 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' NE ' ' HB3' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -45.9 -49.73 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -39.46 -49.29 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.1 t -52.16 130.05 40.95 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.664 0.745 . . . . 0.0 111.181 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.86 2.52 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.478 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 72.1 p -112.67 -17.38 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -100.28 -23.71 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -78.03 7.12 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 6.2 m -137.35 125.95 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.1 t -42.84 112.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -51.2 -25.57 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -71.69 -71.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.8 p -97.28 -46.63 6.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.86 10.97 5.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.63 126.87 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -68.49 144.27 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.489 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.4 m-20 62.19 51.28 1.78 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.8 Cg_endo -69.68 80.26 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.409 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 p -42.76 -56.83 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.468 ' CZ2' HD11 ' A' ' 53' ' ' ILE . 76.2 m95 -59.2 145.23 43.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.86 130.82 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 t -90.5 115.85 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.554 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 16.5 mt -70.07 -49.3 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 99.3 m -41.45 -50.72 3.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -100.89 4.34 42.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.09 45.13 20.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.5 m -123.59 165.82 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.327 . . . . 0.0 111.164 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -100.4 142.92 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.1 mt -139.53 172.93 12.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' ILE . 27.7 p -118.84 149.14 42.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.2 tp -31.37 -46.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.91 -68.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.6 m -59.64 -58.32 9.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' CYS . 65.7 p -31.78 -37.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -56.61 -49.65 68.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' CYS . 2.0 m -48.27 -50.97 27.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.632 ' NE2' ' CE2' ' A' ' 112' ' ' TYR . 21.3 m-70 -57.39 -49.27 76.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.816 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 12.7 mtp-105 -52.68 -36.03 56.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -64.65 -47.88 76.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -46.92 -60.77 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' HIS . . . 147.16 127.02 1.74 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.3 m -39.33 -27.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' GLY . 38.1 p-80 -68.7 -44.2 74.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -72.19 -49.55 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -152.54 117.37 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -88.44 137.95 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.404 HG13 ' CG ' ' A' ' 60' ' ' ARG . 2.1 mm -117.39 135.81 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.106 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -147.08 141.46 26.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -82.91 144.43 30.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.545 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 66.6 p -93.26 -39.95 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.73 -45.48 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 mt -78.79 -67.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -71.65 121.74 19.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 m -122.76 31.77 5.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -121.59 45.62 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.554 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 10.3 m95 -73.81 -177.85 2.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' TRP . 1.8 m -123.45 131.18 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.521 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 15.1 m95 -33.75 -49.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -62.72 -47.11 85.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' SER . 14.7 mt-30 -62.47 -26.2 68.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 78' ' ' TRP . 3.8 mm? -65.83 -60.78 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.65 ' NH1' ' CE3' ' A' ' 140' ' ' TRP . 8.9 mmt85 -55.63 -38.99 70.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.2 m -40.73 -45.2 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.401 ' CB ' HD22 ' A' ' 23' ' ' LEU . 71.5 mmm -64.04 -34.44 78.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.487 ' OE1' ' CZ2' ' A' ' 140' ' ' TRP . 33.2 mt-30 -72.85 -42.71 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 9.7 m -81.34 19.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.34 -101.1 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.23 149.39 15.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.412 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 28' ' ' THR . 3.4 m-20 -52.76 -67.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -33.92 -64.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -30.35 -64.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.47 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 t -39.12 -34.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' PHE . 20.3 m -103.99 -50.12 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.2 t80 -33.53 -53.15 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.471 ' CZ ' ' HE3' ' A' ' 111' ' ' LYS . 24.7 m-85 -49.99 -54.5 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -63.28 -49.97 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -39.8 -51.91 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -63.96 -52.81 57.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 128.9 53.08 0.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.01 87.07 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.2 p -86.41 43.17 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 85.6 m -95.75 138.62 33.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 107' ' ' ASP . 73.9 m-20 -97.74 -46.19 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 106' ' ' ASN . 1.3 m-20 -34.13 131.53 0.29 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.464 HG23 ' CE2' ' A' ' 112' ' ' TYR . 86.7 m -75.29 -34.46 61.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 19.4 t-20 -78.14 -13.42 59.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.22 -58.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 98' ' ' PHE . 37.3 tttp -41.91 -44.03 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.632 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 17.0 m-85 -78.93 -30.78 44.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.9 m-80 -84.74 17.93 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.0 p -100.44 166.18 11.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -63.92 -47.6 79.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.72 -36.19 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.53 -51.04 55.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' LEU . 23.9 mt-30 -52.7 -61.21 2.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 118' ' ' GLN . 76.5 mt -34.35 -43.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.436 ' CE1' ' CD1' ' A' ' 124' ' ' ILE . 19.7 t80 -60.56 -64.77 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.478 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.0 mtm105 -37.65 -63.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -45.67 -53.31 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -50.35 -42.22 52.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.436 ' CD1' ' CE1' ' A' ' 120' ' ' TYR . 47.3 mm -56.47 -33.71 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -70.2 -52.42 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.9 t -54.23 -40.8 68.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 52.7 mt -78.2 -54.46 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.87 -42.52 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 p -58.12 -40.32 80.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -53.71 -71.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -46.6 -47.15 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 84' ' ' ARG . 96.7 m -60.72 -72.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -43.25 -50.96 6.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.81 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -45.98 120.87 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 136' ' ' GLY . 19.5 m170 55.03 44.36 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 32.89 -133.54 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.1 p -86.99 39.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.293 . . . . 0.0 111.087 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 140' ' ' TRP . 7.7 t70 -108.27 124.42 50.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.815 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 140' ' ' TRP . 4.0 mm? -55.62 86.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.65 ' CE3' ' NH1' ' A' ' 84' ' ' ARG . 10.8 p90 -29.18 -52.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.571 HD23 ' CZ2' ' A' ' 140' ' ' TRP . 2.6 pp -92.32 148.95 21.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -103.46 163.15 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.8 m -76.82 89.03 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 29.9 p -44.43 117.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 94.21 169.66 37.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.545 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 147' ' ' SER . 54.1 Cg_endo -69.66 -32.85 18.18 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.764 2.31 . . . . 0.0 112.368 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 146' ' ' PRO . 42.7 m -36.91 105.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.6 p -154.44 145.81 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.457 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m -158.61 125.49 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -73.34 -45.85 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.46 54.84 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 55.1 42.29 30.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 t -96.59 97.04 9.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.54 84.86 1.82 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.527 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.23 143.6 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.83 135.97 29.42 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.15 153.5 66.36 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.75 130.92 20.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -70.73 170.41 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -54.07 -59.53 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -41.14 -58.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -49.48 -53.73 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 76' ' ' SER . 58.1 mt -53.99 -35.01 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.26 -30.82 67.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.2 m -68.36 -49.35 60.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.01 -28.58 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -83.41 -49.26 9.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -48.79 -38.09 21.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -61.74 -35.59 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 24' ' ' ARG . 80.0 mt -87.71 -60.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' LEU . 18.4 mtp180 -35.23 -47.04 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -41.44 -47.86 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.5 t -53.72 131.66 56.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 111.187 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 7.48 1.0 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.5 p -117.18 -12.06 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -105.45 -23.13 12.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -80.22 9.15 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' CYS . 16.5 m -135.08 118.55 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' GLY . 15.8 t -34.56 107.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.15 -26.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.2 -71.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.6 p -98.52 -44.99 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 121.94 11.44 5.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.22 122.36 8.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -64.88 141.74 58.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.542 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 54.2 m-20 64.68 48.35 0.72 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.4 Cg_endo -69.65 81.32 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.433 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 p -43.51 -68.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CZ2' HD11 ' A' ' 53' ' ' ILE . 71.6 m95 -45.6 145.41 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.32 130.26 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.3 t -92.01 114.51 27.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.455 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 17.1 mt -66.66 -46.25 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.449 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 89.5 m -42.12 -61.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CE1' HG23 ' A' ' 46' ' ' THR . 51.9 m-85 -94.68 15.64 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.69 54.27 1.09 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 m -131.28 165.19 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 111.07 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -98.95 143.75 28.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -139.14 168.83 18.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.3 p -114.37 149.19 36.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.485 HD11 ' CZ2' ' A' ' 42' ' ' TRP . 5.3 tp -32.11 -43.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' N ' HG22 ' A' ' 53' ' ' ILE . 10.9 t70 -61.43 -71.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' GLY . 77.8 m -55.84 -56.46 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 55' ' ' CYS . 60.6 p -33.6 -35.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.79 -48.24 83.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.1 m -52.21 -44.97 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.805 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.441 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 11.1 m-70 -61.42 -47.59 85.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -48.99 -38.06 22.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -64.71 -47.48 78.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.1 mt -44.87 -47.25 11.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.1 133.55 3.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.551 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 65' ' ' HIS . 24.5 m -46.21 -25.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.172 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.456 ' N ' HG23 ' A' ' 64' ' ' VAL . 34.2 p-80 -77.03 -35.31 57.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 tt -79.63 -39.21 32.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -162.26 105.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -79.94 127.79 32.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.414 HD13 ' CB ' ' A' ' 59' ' ' HIS . 2.8 mm -104.14 147.24 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -163.07 123.79 2.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.4 m -60.55 -176.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.1 p -118.59 -32.25 4.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.06 -53.6 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.28 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.77 117.7 5.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.0 p -124.37 -20.04 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -81.32 40.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.455 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 6.9 m95 -65.01 176.03 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' TRP . 15.2 m -118.37 124.72 48.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.511 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 74.4 m95 -33.38 -53.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.66 -49.76 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -54.12 -45.22 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.57 -59.4 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.517 ' NH1' ' CE3' ' A' ' 140' ' ' TRP . 11.5 mmt85 -45.98 -48.99 16.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 80.4 m -40.42 -32.08 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.422 ' C ' HD12 ' A' ' 23' ' ' LEU . 86.0 mmm -72.32 -42.75 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.507 ' OE1' ' CZ2' ' A' ' 140' ' ' TRP . 26.0 mt-30 -72.27 -38.16 68.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.448 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 14.3 m -83.12 23.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.1 -92.45 0.24 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.36 164.27 38.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.524 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.14 -64.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -43.91 -49.8 8.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.055 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' ALA . 1.8 m -34.36 -54.23 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -70.48 -51.12 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.7 t -35.76 -36.94 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' PHE . 65.7 m -97.74 -54.89 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 101' ' ' HIS . 43.1 t80 -34.53 -49.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 117' ' ' ALA . 27.7 m-85 -61.16 -59.93 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -50.42 -56.8 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -41.96 -41.96 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.638 ' CE1' ' CD1' ' A' ' 119' ' ' LEU . 5.6 m170 -66.83 -58.14 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.28 41.7 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.474 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 45.2 t -115.67 82.94 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.2 t -80.72 46.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 45.2 m -111.09 136.01 50.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.181 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 107' ' ' ASP . 39.3 m-80 -99.87 -42.6 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 106' ' ' ASN . 1.5 m-20 -34.83 136.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.6 m -76.29 -38.62 55.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 19.9 t-20 -77.02 -7.71 56.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.59 -59.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -45.56 -39.79 7.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 46.9 m-85 -83.69 -27.91 28.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 17.4 m-80 -87.49 21.03 2.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.5 p -106.81 175.67 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -67.61 -53.33 29.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.05 16.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 98' ' ' PHE . . . -62.63 -53.82 48.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 119' ' ' LEU . 16.6 mm-40 -50.11 -63.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.638 ' CD1' ' CE1' ' A' ' 101' ' ' HIS . 43.2 mt -35.94 -38.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.8 -62.64 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.449 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.6 mtm105 -38.67 -65.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -47.42 -53.86 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.22 -49.83 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 22.0 mm -55.92 -40.98 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -57.13 -40.15 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 m -68.19 -68.41 0.39 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 7.9 mt -47.25 -41.21 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.47 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.8 t -63.72 -33.12 74.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.39 -59.86 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.06 -53.24 35.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 133' ' ' ARG . 6.9 m -61.48 -59.55 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 132' ' ' THR . 4.3 tpt180 -33.38 -60.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -53.06 -60.41 3.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.56 ' CE1' ' HA ' ' A' ' 140' ' ' TRP . 21.4 m-70 -116.75 84.35 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -49.97 -79.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.439 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.504 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 30.4 p -102.41 40.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 111.079 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -138.19 177.11 8.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 140' ' ' TRP . 48.0 mt -111.57 90.44 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.56 ' HA ' ' CE1' ' A' ' 135' ' ' HIS . 8.2 p90 -34.06 -43.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' A' ' 140' ' ' TRP . 4.9 mp -37.38 140.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -53.82 -48.05 70.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.1 t -85.32 105.97 16.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -110.04 81.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 65.31 129.48 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -2.48 10.25 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 83.5 p -82.16 -49.45 10.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.2 m -129.14 149.65 50.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.196 -0.78 . . . . 0.0 112.419 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -53.29 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -80.32 132.08 35.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.4 -147.56 4.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -99.31 154.34 18.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.935 0.398 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -126.51 116.51 21.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.12 62.69 6.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.74 -46.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.02 -162.29 48.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -123.86 155.58 66.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.3 Cg_endo -69.72 150.48 68.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.405 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.8 m -101.35 165.62 11.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -58.04 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.7 -56.21 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -55.0 -48.41 73.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.62 -46.62 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.1 mt -50.63 -35.54 30.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 20' ' ' PHE . 98.1 m -62.4 -68.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.203 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' THR . 2.2 mp -36.84 -33.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CZ ' HG21 ' A' ' 72' ' ' THR . 16.4 m-85 -82.65 -53.38 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -44.6 -24.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -77.26 -43.56 32.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 87' ' ' GLN . 31.9 mt -81.69 -53.8 5.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' SER . 61.5 mtm180 -45.35 -49.78 12.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.789 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ARG . 5.2 t -36.63 -51.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' A' ' 28' ' ' THR . 4.9 t -51.58 132.51 35.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 7.65 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.68 2.254 . . . . 0.0 112.38 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.41 ' H ' ' C ' ' A' ' 26' ' ' VAL . 80.8 p -115.12 -13.57 11.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 92.1 m-20 -106.81 -20.74 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -81.78 12.43 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' CYS . 4.7 m -134.03 117.16 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' VAL . 18.3 t -34.0 98.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -39.88 -27.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' CYS . 3.4 t0 -69.22 -71.48 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.53 -44.81 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 125.46 6.44 6.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.87 124.6 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.065 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -69.94 144.74 52.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.6 m-20 63.0 48.68 1.03 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.752 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.65 80.12 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.358 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 m -41.26 -64.05 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -47.96 138.99 8.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.38 126.03 17.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 t -93.26 110.82 22.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.56 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -65.2 -40.06 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.484 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 89.6 m -46.2 -60.28 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' HG21 ' A' ' 46' ' ' THR . 22.6 m-85 -95.51 17.19 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.34 47.84 0.82 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.2 m -127.88 178.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 29' ' ' ASN . 61.1 m-85 -109.79 149.98 29.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.1 mt -146.48 172.88 12.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' ILE . 22.8 p -117.89 150.13 39.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.7 tp -33.55 -39.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.04 -71.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 56' ' ' SER . 78.4 m -55.96 -56.46 20.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.482 ' C ' ' O ' ' A' ' 55' ' ' CYS . 60.7 p -31.08 -43.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.495 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -53.6 -48.9 59.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' CYS . 1.9 m -48.09 -43.15 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.47 ' NE2' ' CZ ' ' A' ' 112' ' ' TYR . 16.7 m-70 -66.67 -45.15 79.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.495 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 41.4 mtm180 -50.19 -45.03 53.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 t -57.43 -47.11 82.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.2 mt -46.15 -47.89 17.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 133.4 129.77 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 m -43.42 -26.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.404 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 35.6 p-80 -75.86 -39.77 55.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 63' ' ' GLY . 1.8 tt -73.29 -42.19 62.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 105.0 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -80.42 128.21 33.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mm -108.63 147.91 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.459 ' HB2' ' CZ2' ' A' ' 78' ' ' TRP . 26.2 mtp180 -157.19 125.54 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -65.0 161.81 17.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.558 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 28.1 p -105.02 -33.59 8.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -83.56 -62.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.34 -68.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.22 118.88 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 m -130.41 34.78 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -123.82 38.26 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.56 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 15.1 m95 -73.13 142.5 47.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.14 149.79 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 9.8 m95 -52.15 -36.67 52.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.19 -47.16 52.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 90.4 mt-30 -61.72 -41.99 98.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.7 mt -53.73 -54.14 42.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 34.5 mmt-85 -55.3 -41.64 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 82' ' ' GLN . 81.1 m -45.1 -30.06 1.03 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 82.8 mmm -76.0 -37.85 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.523 ' OE1' ' CZ2' ' A' ' 140' ' ' TRP . 20.0 mt-30 -73.27 -54.81 7.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 27.9 m -56.34 -12.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.88 -129.17 4.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.71 166.96 11.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -62.63 -74.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -37.55 -50.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' ALA . 38.0 m -35.2 -52.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.89 -46.88 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -38.09 -41.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.9 t -90.74 -49.91 6.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -40.39 -50.45 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -55.25 -59.03 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 100' ' ' GLN . 2.9 t-160 -55.94 -59.71 4.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 99' ' ' HIS . 14.1 mt-30 -37.51 -44.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.475 ' CG ' ' HB1' ' A' ' 116' ' ' ALA . 32.4 t60 -67.53 -56.49 9.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 128.3 49.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 20.0 t -103.53 -52.47 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.6 t 40.11 43.71 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.777 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.4 m -108.17 119.39 39.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -77.48 -35.77 53.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.28 174.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 98.4 m -115.65 -45.78 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.491 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 20.8 t-20 -71.76 -4.53 28.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.94 -53.6 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -51.45 -40.59 59.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.47 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 61.7 m-85 -83.73 -27.51 28.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 17.7 m-80 -87.2 20.56 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.5 p -102.44 170.91 7.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -62.8 -56.26 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 101' ' ' HIS . . . -43.16 -48.08 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.066 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.93 -50.28 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -58.38 -60.58 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.2 mt -38.8 -37.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -65.13 -60.9 2.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.484 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.6 mtm105 -39.5 -64.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -45.64 -51.84 11.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -50.85 -48.94 59.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.7 mm -50.95 -44.87 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -57.94 -45.73 86.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 m -57.72 -67.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 29.0 mt -46.85 -51.42 16.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.44 -43.66 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.7 m -53.94 -46.92 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -51.11 -57.49 8.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.24 86.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 133' ' ' ARG . 86.6 m -62.71 -67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 132' ' ' THR . 27.6 ttt85 -35.23 -54.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 135' ' ' HIS . 11.7 tptt -44.08 166.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.498 ' C ' ' O ' ' A' ' 134' ' ' LYS . 9.8 m170 -30.7 98.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.469 ' O ' ' C ' ' A' ' 137' ' ' THR . . . -57.47 -108.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.55 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 71.6 p -32.63 -44.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.719 0.295 . . . . 0.0 111.108 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 139' ' ' LEU . 43.0 m-20 -73.71 89.26 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 138' ' ' ASP . 4.5 mp -32.7 110.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.523 ' CZ2' ' OE1' ' A' ' 87' ' ' GLN . 20.3 p90 -37.61 -49.84 1.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.512 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -77.64 170.62 16.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.07 104.55 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 27.0 t -73.21 108.15 5.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 51.6 p -101.06 139.11 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 131.1 -167.84 22.24 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 178.19 4.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 0.0 112.3 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 27.8 p -76.3 83.83 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.792 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.3 m -160.12 148.9 17.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.413 ' C ' ' HB ' ' A' ' 137' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.443 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -141.39 173.83 11.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.918 0.39 . . . . 0.0 110.815 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -111.28 177.92 4.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.6 169.04 13.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -59.02 165.9 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.9 p -117.21 43.13 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.47 130.73 6.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.555 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.467 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -135.73 145.02 46.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 8' ' ' MET . . . 33.03 67.71 0.19 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.427 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.24 141.35 6.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.05 3.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.658 2.238 . . . . 0.0 112.393 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -67.49 164.96 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -44.69 -63.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -39.71 -56.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.8 -50.29 56.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.4 mt -59.77 -43.32 91.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.3 mt -50.68 -35.86 32.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' PHE . 96.3 m -64.54 -69.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' THR . 4.4 mp -32.99 -36.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' THR . 23.2 m-85 -82.53 -54.45 5.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -39.91 -29.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' PHE . 37.0 ttt180 -78.27 -46.5 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -73.97 -59.68 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -40.62 -48.35 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 t -43.79 -41.34 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.434 ' C ' ' H ' ' A' ' 28' ' ' THR . 24.0 t -58.01 134.66 83.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.648 0.737 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 10.35 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.434 ' H ' ' C ' ' A' ' 26' ' ' VAL . 48.2 p -121.99 -12.15 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.452 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 97.7 m-20 -104.66 -25.83 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -75.3 5.77 5.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.41 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 18.2 m -133.43 128.67 55.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' GLY . 16.1 t -44.15 112.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -52.67 -28.51 21.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.83 -67.87 0.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.9 p -101.21 -49.15 4.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 129.4 9.14 3.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.5 121.83 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 141.12 54.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 47.1 t30 70.36 50.92 0.37 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.689 0.757 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.5 Cg_endo -69.77 81.33 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.386 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.6 p -44.48 -48.54 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.513 ' CE2' HD13 ' A' ' 53' ' ' ILE . 75.4 m95 -70.27 150.74 46.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.26 128.01 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -91.95 111.44 22.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.551 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 15.7 mt -64.14 -45.41 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -40.86 -59.67 1.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -96.01 14.13 24.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.54 48.18 2.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 m -126.84 168.58 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 29' ' ' ASN . 44.4 m-85 -99.99 143.56 30.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.0 mt -138.61 165.62 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.0 p -111.73 149.53 31.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.513 HD13 ' CE2' ' A' ' 42' ' ' TRP . 3.2 tp -35.55 -31.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' CYS . 8.7 t70 -71.36 -70.75 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' SER . 84.7 m -54.82 -53.71 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' CYS . 69.6 p -33.21 -46.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.77 -47.83 30.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' CYS . 1.8 m -52.63 -45.11 66.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.833 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.428 ' NE2' ' CZ ' ' A' ' 112' ' ' TYR . 17.7 m-70 -62.24 -48.24 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -50.74 -31.73 17.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t -69.69 -51.0 38.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HB3' ' CD1' ' A' ' 66' ' ' LEU . 42.0 mt -45.05 -41.32 7.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.488 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 124.59 129.99 3.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -42.2 -29.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.488 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 41.4 p-80 -70.6 -39.18 73.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 62' ' ' LEU . 1.7 tt -74.13 -43.46 57.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -157.11 105.06 2.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -76.57 132.29 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.406 HD13 ' CB ' ' A' ' 59' ' ' HIS . 4.9 mm -107.13 153.18 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 9.4 mtp85 -168.47 124.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.8 m -62.82 -176.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 p -119.66 -47.94 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.11 -49.65 16.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.34 -65.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.59 111.32 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p -118.83 -14.64 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -79.22 43.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.551 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 10.0 m95 -72.6 -174.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.71 148.49 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -52.81 -35.05 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -74.46 -41.67 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -67.99 -30.44 69.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 78' ' ' TRP . 3.7 mm? -63.68 -61.72 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -54.76 -36.69 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 m -45.53 -47.22 14.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.4 mmm -63.08 -38.72 92.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -69.44 -60.47 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.448 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 35.8 m -48.98 -26.33 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.41 -127.65 5.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.32 175.66 14.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.403 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 2.0 m-20 -66.46 -61.64 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -45.2 -48.96 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 m -38.45 -55.02 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . . . -69.87 -45.59 67.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' ALA . 26.9 t -37.11 -39.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 97' ' ' PHE . 49.7 m -100.38 -47.63 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 96' ' ' SER . 3.3 t80 -35.7 -54.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -57.21 -64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 102' ' ' GLY . 3.9 t-160 -45.07 -56.76 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -42.37 -40.31 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' GLY . 3.9 m170 -88.54 33.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 99' ' ' HIS . . . 36.55 45.62 1.01 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 6.0 m -132.48 94.34 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.4 p -112.91 80.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 55.8 m -106.64 115.47 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -86.51 43.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -124.92 -174.73 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 92.1 m -124.02 -34.18 3.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -90.09 -6.91 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.28 -39.64 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -65.46 -45.29 84.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.428 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 66.3 m-85 -79.95 -13.38 59.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -102.61 21.59 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 p -106.59 165.35 11.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -56.93 -55.01 40.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.53 -50.46 9.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.43 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -51.86 -60.53 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.7 mt -41.24 -39.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -61.36 -60.15 4.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 11.3 mtm105 -41.7 -65.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -47.28 -48.68 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -51.71 -60.38 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.4 mm -40.3 -48.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -54.58 -43.2 71.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.6 t -61.86 -59.34 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 7.2 mt -55.09 -54.49 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -39.27 -47.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.1 t -53.24 -49.84 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -44.99 -56.62 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.63 74.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 133' ' ' ARG . 89.6 m -66.92 -74.14 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' THR . 10.7 mtt85 -36.74 -56.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 99.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 3.4 m80 61.49 53.29 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -44.3 -75.71 0.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 38.5 p -77.77 47.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -169.43 116.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 140' ' ' TRP . 14.8 mt -53.04 94.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.452 ' C ' ' O ' ' A' ' 139' ' ' LEU . 3.9 p90 -34.15 -37.52 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 142' ' ' ASP . 6.0 mt -36.76 132.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 141' ' ' LEU . 12.7 m-20 -34.92 141.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.8 t -46.16 117.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 11.9 t -102.45 174.24 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -111.26 75.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 179.41 3.73 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.9 m -109.0 167.08 10.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 30.5 t -101.66 107.83 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.474 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 t -61.76 85.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.851 0.358 . . . . 0.0 110.816 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -111.54 100.4 8.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.94 63.9 0.37 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -112.05 101.34 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -69.49 142.16 53.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.801 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.1 104.65 1.81 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -137.93 144.31 41.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.91 125.97 7.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.91 152.2 87.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 0.0 110.832 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.497 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.74 122.53 9.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -66.26 162.89 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -44.78 -66.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -41.41 -48.53 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -54.8 -50.44 68.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.464 ' CG2' HD22 ' A' ' 83' ' ' LEU . 59.6 mt -59.26 -36.29 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.04 -38.41 70.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' PHE . 74.7 m -64.22 -67.66 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' THR . 1.7 mp -33.07 -36.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.566 ' CZ ' HG23 ' A' ' 72' ' ' THR . 35.2 m-85 -85.3 -60.61 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' PHE . 8.2 ptmt -35.54 -33.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' PHE . 40.7 ttt-85 -67.67 -46.71 71.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' PHE . 44.9 mt -76.16 -41.18 50.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -48.86 -49.15 40.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.9 t -42.3 -44.64 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 5.4 t -54.85 136.82 65.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.552 0.691 . . . . 0.0 111.17 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.0 Cg_endo -69.7 -34.09 15.47 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.1 p -81.32 -9.14 59.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.413 ' HA ' ' CG ' ' A' ' 91' ' ' ASN . 17.3 m-20 -103.2 -29.76 11.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -79.56 13.81 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.2 m -134.02 121.54 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 34' ' ' ASP . 15.1 t -40.63 102.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.641 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -41.86 -26.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' CYS . 2.2 t70 -71.03 -72.35 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.4 p -97.04 -47.27 5.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.95 10.62 4.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.7 122.21 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -65.46 146.6 54.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.1 m-20 60.78 51.75 2.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.68 80.13 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 p -41.58 -60.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -54.42 143.86 22.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -146.44 126.08 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -93.3 110.37 21.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.58 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.7 mt -63.68 -38.08 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 3.2 m -40.72 -64.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -98.85 15.37 25.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 43.88 44.52 7.2 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.22 164.41 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -98.45 147.67 24.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -143.35 171.67 13.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' ILE . 25.9 p -116.34 147.42 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.6 tp -33.55 -43.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.06 -59.38 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 56' ' ' SER . 95.8 m -68.76 -59.05 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.1 p -32.21 -39.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.53 -49.49 60.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.452 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.1 m -52.34 -45.31 65.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.379 . . . . 0.0 110.802 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.457 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 14.4 m-70 -60.31 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -54.74 -33.18 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.7 t -65.06 -47.68 76.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.9 mt -48.08 -52.24 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 138.75 129.62 2.69 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.546 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 63' ' ' GLY . 16.1 m -36.27 -41.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 66' ' ' LEU . 16.5 p-80 -63.12 -42.78 99.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 63' ' ' GLY . 2.4 mt -68.14 -43.37 78.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.64 105.27 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.427 ' CE2' ' HD3' ' A' ' 70' ' ' ARG . 8.2 t80 -77.82 121.54 24.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.419 ' C ' ' HG2' ' A' ' 70' ' ' ARG . 2.9 mm -107.56 141.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 78' ' ' TRP . 7.2 mmm180 -150.98 149.17 29.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 m -86.72 146.4 26.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.566 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 78.6 p -92.32 -30.51 15.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.157 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -93.69 -55.36 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.8 -70.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.13 120.57 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -122.66 33.1 5.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.432 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 0.9 OUTLIER -120.45 36.28 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.58 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.7 m95 -70.83 145.72 50.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 80' ' ' TRP . 51.4 p -93.47 137.09 33.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.497 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 91.0 m95 -33.23 -39.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 79' ' ' SER . 22.5 t80 -66.91 -63.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -47.87 -34.95 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 16' ' ' ILE . 15.4 mt -62.84 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.3 mmt-85 -54.74 -32.97 60.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.0 m -50.88 -24.82 3.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 71.4 mmm -79.77 -43.88 21.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -67.89 -58.3 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.0 m -48.5 -19.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.33 -114.83 4.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.12 155.95 10.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.415 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 29' ' ' ASN . 1.4 m-20 -56.1 -64.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.26 -47.54 46.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -39.38 -47.94 1.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.59 -49.42 14.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.3 t -37.98 -41.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 97' ' ' PHE . 16.3 m -90.19 -56.75 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 96' ' ' SER . 4.6 t80 -34.17 -58.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -49.69 -53.23 25.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -57.31 -53.87 53.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -38.21 -48.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -68.86 -46.29 68.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.55 43.26 1.16 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.8 p -54.09 -44.2 71.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.6 m 54.1 41.53 31.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.7 m -135.39 139.88 44.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -110.8 -30.85 7.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -51.81 -178.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 97.0 m -116.1 -37.44 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -79.95 -7.85 59.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.06 -51.73 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -51.71 -43.6 62.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.457 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 52.7 m-85 -80.76 -27.55 36.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -87.29 22.56 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.6 p -113.59 164.32 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.427 ' HD2' ' CD ' ' A' ' 118' ' ' GLN . 2.6 tpt180 -56.28 -55.42 33.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -41.2 -28.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.2 -43.78 20.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.498 ' CG ' ' N ' ' A' ' 119' ' ' LEU . 3.9 pt20 -62.69 -48.01 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.498 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 84.8 mt -48.77 -30.27 5.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -77.84 -50.81 11.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.471 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 26.5 mtm180 -54.08 -60.64 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -46.12 -42.14 13.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -62.21 -41.57 98.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.85 -37.94 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -67.19 -33.78 76.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 m -73.23 -44.07 60.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 130' ' ' GLN . 25.4 mt -69.36 -60.89 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -33.91 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 127' ' ' LEU . 9.1 t -61.26 -47.45 85.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 127' ' ' LEU . 6.3 pt20 -50.27 -44.54 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.451 ' N ' ' CG ' ' A' ' 130' ' ' GLN . . . -77.12 -37.39 54.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.2 m -69.55 -68.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -43.09 -56.05 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 135' ' ' HIS . 81.4 tttt -41.85 143.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 136' ' ' GLY . 18.2 m-70 34.52 41.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 32.78 -120.44 0.21 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.449 HG21 ' CD1' ' A' ' 80' ' ' TRP . 51.7 p -96.52 42.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.353 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 140' ' ' TRP . 1.4 t70 -122.77 113.37 19.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 140' ' ' TRP . 17.8 mt -34.06 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.509 ' CD2' HD11 ' A' ' 141' ' ' LEU . 11.0 p90 -33.39 -42.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.509 HD11 ' CD2' ' A' ' 140' ' ' TRP . 5.4 mp -35.31 -59.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -162.27 154.05 18.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t -81.14 149.91 28.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.3 t -100.96 150.74 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -63.97 -177.77 5.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 97.84 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.659 2.239 . . . . 0.0 112.383 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 95.1 p -104.62 163.21 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.9 m -134.68 165.14 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.532 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -150.28 155.09 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.817 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 t -55.3 -53.82 51.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.25 78.8 0.59 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -53.49 -48.36 69.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.925 0.393 . . . . 0.0 110.834 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -113.73 101.31 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.54 -110.57 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.467 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.431 ' HG3' ' N ' ' A' ' 9' ' ' GLY . 22.8 ptt? -134.29 -39.59 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 8' ' ' MET . . . 148.26 160.9 9.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -121.13 141.47 32.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.433 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.72 108.63 2.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.651 2.234 . . . . 0.0 112.4 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.0 m -63.42 166.58 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -60.14 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -44.63 -45.89 9.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -63.28 -51.58 65.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 76' ' ' SER . 67.6 mt -55.12 -44.57 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 17.6 mt -53.87 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' ILE . 12.0 m -39.25 -72.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' THR . 75.0 mt -33.84 -39.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.44 ' CZ ' HG22 ' A' ' 72' ' ' THR . 4.8 m-85 -75.68 -58.52 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 1.5 ptpp? -43.62 -39.3 3.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 3.8 tmm_? -59.59 -38.22 80.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.9 mt -82.89 -40.41 20.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' SER . 66.4 mtp85 -52.8 -46.46 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.445 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 1.1 t -38.23 -50.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -53.07 133.69 49.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 -14.73 36.09 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.4 p -94.02 -14.2 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -101.48 -30.18 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 25' ' ' SER . 15.1 ptpt -75.3 8.19 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.47 121.66 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -38.34 109.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.532 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -49.02 -26.08 2.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.65 -71.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.2 p -98.24 -47.54 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.69 8.73 4.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.78 119.28 3.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.383 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -65.39 139.64 58.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 36.6 m-80 67.52 52.47 0.63 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.695 0.759 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.76 81.53 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.674 2.249 . . . . 0.0 112.29 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -46.83 -50.98 17.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CD1' ' HA ' ' A' ' 53' ' ' ILE . 90.0 m95 -62.3 143.42 56.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.92 138.29 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 t -104.68 106.46 16.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.568 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.2 mt -57.46 -45.55 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -40.18 -62.73 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -95.46 16.47 16.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 37.63 40.27 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.29 173.77 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -107.97 148.25 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.7 mt -142.93 173.27 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.6 p -114.51 153.13 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 54' ' ' ASP . 3.1 tp -37.94 -32.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.473 ' N ' HG22 ' A' ' 53' ' ' ILE . 57.5 m-20 -71.82 -73.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 56' ' ' SER . 85.3 m -51.06 -55.26 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' CYS . 79.4 p -34.42 -45.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.496 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -51.28 -45.33 52.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 55' ' ' CYS . 1.8 m -52.45 -43.28 64.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.435 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 11.6 m-70 -64.85 -46.97 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.496 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 38.8 mtm180 -49.18 -38.93 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' LEU . 25.3 t -63.83 -57.6 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 61' ' ' SER . 13.7 mt -37.02 -50.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 137.45 126.92 2.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.7 m -43.05 -24.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 111.185 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.47 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 35.9 p-80 -72.67 -40.08 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.6 OUTLIER -72.03 -50.75 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -149.19 105.78 3.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -76.85 132.98 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 mm -109.53 147.81 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' NH1' ' CG ' ' A' ' 75' ' ' ASP . 17.1 mtt-85 -165.76 130.59 2.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.4 m -68.33 179.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.44 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 51.5 p -116.2 -46.62 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.5 -48.76 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mt -72.88 -64.53 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.453 ' CG ' ' NH1' ' A' ' 70' ' ' ARG . 41.3 m-20 -63.82 121.63 14.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 4.7 p -124.94 -15.73 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -82.04 40.86 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.568 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.1 m95 -70.74 -174.69 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.474 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -129.14 148.17 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.874 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.466 ' NE1' HG23 ' A' ' 137' ' ' THR . 23.5 m95 -52.07 -35.25 46.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -71.5 -46.83 58.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -67.93 -27.77 66.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 79' ' ' SER . 1.8 mm? -64.72 -62.32 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' CG ' ' HB1' ' A' ' 131' ' ' ALA . 18.1 mmt-85 -60.01 -32.3 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 5.8 m -48.56 -30.44 5.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.5 mmm -75.57 -43.88 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.546 ' OE1' ' CH2' ' A' ' 140' ' ' TRP . 15.4 mt-30 -66.51 -58.82 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 33.5 m -48.43 -20.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.64 -124.27 5.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.7 152.19 8.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.518 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.56 -51.62 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -56.98 -52.63 64.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 92' ' ' ALA . 24.2 m -36.19 -55.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.451 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -69.15 -45.91 68.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 94' ' ' ALA . 5.3 t -36.61 -37.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' PHE . 7.2 m -99.07 -50.36 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.438 ' CE1' ' CD2' ' A' ' 101' ' ' HIS . 24.5 t80 -36.22 -49.87 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CZ ' ' HE3' ' A' ' 111' ' ' LYS . 19.3 m-85 -53.06 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -50.42 -55.0 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -45.68 -40.37 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.438 ' CD2' ' CE1' ' A' ' 97' ' ' PHE . 21.2 m-70 -90.22 38.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 43.6 66.74 1.17 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 50.2 t -162.95 106.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.81 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.5 m -127.47 44.18 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 98.4 m -82.24 134.71 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -88.26 -35.17 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.43 175.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.1 m -113.47 -41.91 3.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 24.9 t-20 -78.34 -2.61 38.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.59 -50.53 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.472 ' HE3' ' CZ ' ' A' ' 98' ' ' PHE . 30.1 tttp -54.75 -42.83 72.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.435 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 54.7 m-85 -82.28 -25.49 33.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.9 m-80 -86.82 18.13 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.7 p -97.82 -178.2 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -79.65 -44.26 21.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.95 -39.81 72.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.42 -50.73 66.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -49.99 -55.91 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 63.7 mt -47.59 -35.06 8.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 94' ' ' ALA . 12.0 t80 -62.01 -47.35 85.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 7.6 mtm105 -58.77 -58.56 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.815 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 11.3 pt-20 -52.31 -41.25 62.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.512 ' N ' ' HG3' ' A' ' 122' ' ' GLU . 18.0 ttmt -59.73 -45.4 92.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 35.2 mm -59.11 -33.85 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -63.35 -40.68 97.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 m -67.9 -54.18 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.473 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 19.8 mt -61.2 -53.45 56.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.434 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -43.42 -38.99 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.2 m -66.86 -33.76 76.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 127' ' ' LEU . 39.5 mt-30 -57.36 -57.31 13.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.456 ' HB1' ' CG ' ' A' ' 84' ' ' ARG . . . -64.39 -40.65 96.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 84.8 m -59.42 -51.53 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 134' ' ' LYS . 30.3 ttt85 -74.27 -33.61 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 133' ' ' ARG . 22.1 tptm -32.46 -63.55 0.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.511 ' CG ' ' HB3' ' A' ' 138' ' ' ASP . 2.2 t-160 -126.5 42.87 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.831 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 33.98 -100.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.466 HG23 ' NE1' ' A' ' 80' ' ' TRP . 21.5 p -115.85 69.11 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.122 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.511 ' HB3' ' CG ' ' A' ' 135' ' ' HIS . 9.1 t70 -161.54 135.62 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 139' ' ' LEU . 4.6 mm? -59.57 95.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.546 ' CH2' ' OE1' ' A' ' 87' ' ' GLN . 9.1 p90 -44.47 -24.2 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.487 HD23 ' CE2' ' A' ' 140' ' ' TRP . 3.5 mm? -45.14 152.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -41.42 129.56 3.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.7 t -102.7 83.82 2.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 27.3 p -110.0 126.77 54.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 44.67 64.11 2.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 149.49 66.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.5 t -130.86 147.79 52.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 28.6 t -49.06 118.27 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.066 -0.852 . . . . 0.0 112.499 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 p -117.85 41.07 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -99.62 151.91 20.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.35 -147.21 4.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -154.08 169.97 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 m -109.16 109.03 19.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.01 44.19 2.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.414 ' SD ' ' O ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -82.94 35.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 43.86 -155.88 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -139.66 156.38 71.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.558 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.5 Cg_endo -69.79 117.3 5.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -61.71 163.15 7.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -43.57 -60.94 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -42.64 -55.03 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -50.39 -54.1 24.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mt -54.22 -47.89 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.9 mt -46.68 -36.19 6.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' PHE . 52.0 m -64.42 -70.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' THR . 3.6 mp -32.37 -35.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' THR . 24.1 m-85 -83.62 -54.39 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' A' ' 22' ' ' ARG . 1.6 ptmm? -38.98 -41.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 21' ' ' LYS . 13.7 ttt-85 -62.0 -44.12 97.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 54.8 mt -76.63 -58.84 3.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' LEU . 50.6 mtp180 -36.43 -52.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -39.03 -45.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 25.7 t -60.19 137.31 91.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.0 Cg_endo -69.76 11.88 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.449 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 12.0 p -114.94 -25.99 7.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -93.4 -30.1 15.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -71.18 0.55 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 m -132.3 133.93 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 34' ' ' ASP . 46.9 t -50.07 127.56 16.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.3 -33.08 72.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.522 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 4.0 m-20 -65.03 -72.14 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.6 p -96.85 -55.39 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 32' ' ' CYS . . . 130.36 19.65 1.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.553 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.78 128.34 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -66.21 142.52 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 48.8 t30 63.44 53.77 1.67 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.578 0.704 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.76 80.78 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.397 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 p -44.59 -65.81 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -51.85 149.0 5.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.69 122.29 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.4 t -85.82 120.1 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.797 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.528 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 15.8 mt -72.84 -39.45 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.546 HG23 ' CD1' ' A' ' 47' ' ' TYR . 13.5 m -47.19 -54.9 9.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.546 ' CD1' HG23 ' A' ' 46' ' ' THR . 52.4 m-85 -96.42 10.94 36.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 41.34 50.6 4.57 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 m -135.92 160.14 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -91.36 143.54 26.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 84.2 mt -135.27 160.69 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.2 p -107.66 149.0 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG21 ' N ' ' A' ' 54' ' ' ASP . 2.8 tp -32.96 -37.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.473 ' N ' HG21 ' A' ' 53' ' ' ILE . 31.4 t0 -66.58 -69.42 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 34' ' ' ASP . 77.2 m -55.87 -56.14 24.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' CYS . 79.1 p -32.74 -43.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.68 -49.87 45.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' CYS . 55.5 p -50.43 -43.25 54.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 112' ' ' TYR . 22.8 m-70 -70.02 -44.4 69.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -47.76 -37.45 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.6 m -75.23 -44.77 44.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.7 mt -40.52 -48.96 2.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 129.25 126.09 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.481 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.6 m -38.5 -30.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.448 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 33.8 p-80 -72.46 -42.71 64.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.9 OUTLIER -71.08 -43.67 67.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -159.92 105.19 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -78.19 132.21 37.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 3.6 mm -108.18 148.67 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.213 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 16.3 mtp180 -162.47 127.85 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -70.07 166.74 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.4 p -107.02 -37.15 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -85.26 -58.48 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.68 -57.98 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -77.9 109.38 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 m -119.89 37.06 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -122.42 35.35 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.528 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 12.5 m95 -67.2 162.52 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 80' ' ' TRP . 3.2 m -107.99 133.06 52.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.558 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 75.0 m95 -30.66 -51.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -62.03 -55.98 23.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -53.51 -34.25 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.49 -56.0 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.8 mmt-85 -59.11 -34.54 72.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 86.0 m -49.66 -34.71 19.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.8 mmm -73.05 -35.3 66.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.85 -60.45 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.476 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 27.6 m -44.63 -30.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -101.37 -106.13 2.89 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.15 175.04 18.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 28' ' ' THR . 3.8 m-20 -72.12 -54.28 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -55.84 -50.55 70.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' ALA . 4.4 m -35.75 -52.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.5 -54.49 10.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.3 t -35.1 -41.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 97' ' ' PHE . 8.1 t -89.24 -54.1 4.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 96' ' ' SER . 34.5 t80 -36.01 -58.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -42.16 -48.94 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' GLN . 7.2 t60 -61.38 -56.02 24.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' HIS . 0.4 OUTLIER -34.16 -51.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -70.36 -53.6 15.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.37 52.23 0.19 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.4 t -130.94 87.63 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.0 t -98.31 44.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 99.3 m -87.14 140.79 29.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 107' ' ' ASP . 12.4 m120 -91.35 -51.1 5.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 106' ' ' ASN . 14.2 m-20 -33.71 134.9 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.9 m -76.78 -40.2 49.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 18.7 t-20 -75.12 -4.27 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.71 -58.66 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -43.2 -40.12 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.642 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 24.7 m-85 -86.89 -29.87 21.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.0 m-80 -85.11 20.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.9 p -101.93 172.61 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -65.84 -54.91 20.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.33 -46.71 25.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.84 72.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -55.57 -59.81 4.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.0 mt -37.72 -39.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 121' ' ' ARG . 39.5 t80 -62.06 -65.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 10.2 mtm105 -35.84 -61.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -47.2 -51.63 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -52.19 -50.19 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.4 mm -49.46 -35.54 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -70.74 -38.31 73.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -65.27 -53.1 49.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.476 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 15.3 mt -62.58 -53.55 53.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.43 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -43.1 -41.11 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 m -57.34 -39.73 76.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.783 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -57.64 -73.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.55 -39.89 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 60.7 m -67.18 -72.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -38.06 -53.85 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -38.82 -61.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.482 ' CD2' ' HA ' ' A' ' 140' ' ' TRP . 56.3 m-70 -124.43 85.91 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.15 -87.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.5 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 74.2 p -104.9 42.35 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 111.199 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -138.94 155.18 48.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 142' ' ' ASP . 3.6 mm? -88.07 97.0 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.482 ' HA ' ' CD2' ' A' ' 135' ' ' HIS . 5.9 p90 -38.33 -37.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.461 HD23 ' CD2' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -68.04 -40.21 82.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 139' ' ' LEU . 11.0 t70 -178.0 112.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 43.4 t -67.34 96.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.0 m -86.42 45.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.811 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -168.96 176.07 43.22 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -179.04 2.65 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 63.9 p -91.05 101.32 14.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.5 m -118.51 104.0 10.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.485 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -45.6 158.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.914 0.388 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -158.81 145.49 17.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.79 105.68 3.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.3 p -150.65 108.5 3.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -104.22 105.34 15.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.48 125.63 3.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.5 ttt -130.65 105.3 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.27 112.25 4.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -40.29 156.27 0.18 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.589 0.709 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.4 Cg_endo -69.71 128.92 16.77 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -77.24 172.45 13.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -48.82 -63.04 1.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -40.81 -54.42 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -52.84 -52.8 55.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.12 -43.23 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -52.21 -36.85 53.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' ILE . 52.5 m -64.63 -68.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.469 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 2.4 mp -33.5 -36.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 72' ' ' THR . 26.3 m-85 -82.87 -58.98 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' PHE . 6.6 ptmt -35.59 -37.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -63.08 -44.77 94.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' PHE . 17.0 mt -77.67 -43.05 32.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' SER . 36.1 mtp180 -45.75 -53.93 8.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' ARG . 26.1 m -36.1 -50.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.438 HG13 ' HD2' ' A' ' 27' ' ' PRO . 3.4 t -52.05 131.27 40.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.438 ' HD2' HG13 ' A' ' 26' ' ' VAL . 53.7 Cg_endo -69.73 -14.3 35.97 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 p -96.58 -13.26 23.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -102.41 -27.8 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -76.75 10.19 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 17.0 m -134.07 132.92 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' SG ' ' CB ' ' A' ' 34' ' ' ASP . 6.4 t -48.81 101.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -39.32 -32.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.403 ' CB ' ' SG ' ' A' ' 32' ' ' CYS . 5.5 t0 -63.39 -71.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.7 p -98.6 -49.03 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.4 17.34 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.26 122.01 12.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -64.41 141.79 58.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.8 m-20 63.96 50.39 1.08 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.77 79.57 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 p -39.49 -59.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' NE1' ' HA ' ' A' ' 53' ' ' ILE . 79.6 m95 -56.3 142.95 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.11 126.8 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.045 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -90.97 114.45 26.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.555 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.9 mt -67.68 -46.52 82.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m -38.36 -63.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -92.53 10.04 31.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 44.11 46.59 8.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 m -124.01 173.18 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -107.08 139.68 41.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.4 mt -135.95 167.62 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.4 p -106.33 171.07 7.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 2.4 tp -52.83 -40.3 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -67.16 -75.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' SER . 72.0 m -43.8 -57.5 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 92.2 p -33.43 -36.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.4 -48.35 81.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -50.71 -42.67 57.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.551 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 25.6 m-70 -67.81 -45.24 75.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -56.44 -30.9 63.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.1 t -68.97 -49.12 60.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.76 -51.68 27.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.545 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.53 128.92 2.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.562 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.3 m -44.39 -24.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.545 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 25.5 p-80 -70.91 -40.54 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.79 -49.99 22.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -147.06 105.11 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -75.62 132.54 40.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mm -109.91 135.99 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -148.08 136.35 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 t -79.84 166.2 21.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.567 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 51.6 p -109.12 -31.16 7.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -92.64 -56.27 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.72 -53.48 32.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.06 125.3 29.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.96 32.82 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -120.98 36.9 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.555 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 13.1 m95 -73.9 142.35 45.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.86 149.62 21.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.569 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 49.8 m95 -47.02 -39.28 12.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -67.31 -58.2 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -54.58 -31.75 57.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.35 -62.05 1.94 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.442 ' CD ' ' HB2' ' A' ' 131' ' ' ALA . 31.5 mmt-85 -52.02 -40.22 60.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 95.8 m -42.83 -40.68 2.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 80.7 mmm -68.07 -38.26 82.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 19' ' ' ILE . 14.9 mm-40 -68.86 -59.05 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.434 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 24.2 m -54.89 -13.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -110.65 -140.59 8.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 138.89 154.11 6.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 1.6 m-20 -52.97 -60.23 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -49.12 -55.93 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 92' ' ' ALA . 2.6 m -32.12 -59.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.811 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' SER . . . -68.37 -48.74 63.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 94' ' ' ALA . 13.2 t -36.71 -32.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' ALA . 99.7 p -105.03 -53.7 2.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.4 t80 -35.57 -37.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -67.81 -55.29 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -64.97 -55.33 19.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.42 ' CD ' ' HA ' ' A' ' 97' ' ' PHE . 2.9 pt20 -42.95 -41.15 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.465 ' CD2' HD13 ' A' ' 119' ' ' LEU . 3.2 m80 -69.77 -61.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.76 52.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.2 t -157.78 114.4 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.0 p -120.64 45.32 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.3 m -81.74 132.62 35.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -89.08 -33.78 17.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.63 175.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.9 m -113.31 -46.0 3.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.484 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 16.5 t-20 -73.51 -5.13 38.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.36 -53.26 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -51.61 -42.77 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 53.3 m-85 -80.8 -24.96 38.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 14.9 m-80 -89.17 20.8 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.9 p -104.04 165.14 11.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -60.67 -50.77 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.94 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.93 -52.78 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -54.24 -57.82 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 101' ' ' HIS . 70.5 mt -40.59 -43.97 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.502 ' CE1' HD13 ' A' ' 124' ' ' ILE . 28.0 t80 -57.93 -60.65 3.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 120' ' ' TYR . 27.1 mtm180 -38.38 -62.78 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -47.42 -52.12 17.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -46.38 -52.37 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.502 HD13 ' CE1' ' A' ' 120' ' ' TYR . 26.9 mm -49.91 -40.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.6 -46.33 90.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.3 t -59.48 -65.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.434 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 26.3 mt -49.56 -55.07 14.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.39 -44.84 5.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.8 t -59.13 -32.82 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 127' ' ' LEU . 44.3 mm-40 -62.2 -43.61 98.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.442 ' HB2' ' CD ' ' A' ' 84' ' ' ARG . . . -79.18 -34.17 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 67.1 m -68.58 -49.7 57.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 134' ' ' LYS . 0.5 OUTLIER -65.34 -36.43 83.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 133' ' ' ARG . 26.7 ttmt -37.07 -59.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -126.35 -44.27 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 80' ' ' TRP . . . 93.01 -51.42 2.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.438 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.46 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 17.5 p -118.25 -39.82 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 111.106 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.1 135.47 39.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 141' ' ' LEU . 25.0 mt -72.96 97.61 2.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.46 ' C ' ' O ' ' A' ' 139' ' ' LEU . 5.8 p90 -33.18 -36.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 139' ' ' LEU . 7.9 mt -36.57 -54.78 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.45 172.74 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.8 m -94.81 144.94 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.5 p -168.28 146.41 4.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -151.7 -84.12 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.559 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 3.09 2.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.74 2.294 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 21.6 t -102.98 149.1 24.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 21.1 p -110.74 136.92 49.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.223 -0.765 . . . . 0.0 112.511 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -109.6 103.8 12.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.93 0.395 . . . . 0.0 110.927 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -71.53 110.31 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.03 172.54 38.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -152.01 170.71 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -154.14 117.82 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.97 118.12 4.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.484 ' O ' ' CG2' ' A' ' 137' ' ' THR . 7.7 mtm -119.08 -57.1 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.807 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.98 -159.5 24.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.17 120.39 26.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 110.835 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.45 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.4 Cg_endo -69.83 133.71 26.11 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.646 2.23 . . . . 0.0 112.28 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' LYS . 55.3 m -73.82 159.32 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' SER . 24.0 ttpt -37.0 -54.96 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -48.7 -58.43 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.12 -49.84 50.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.0 mt -57.26 -47.42 84.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.7 mt -48.96 -65.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' ILE . 9.0 m -38.9 -69.76 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.473 ' CD1' HD12 ' A' ' 83' ' ' LEU . 98.5 mt -33.79 -37.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CZ ' HG23 ' A' ' 72' ' ' THR . 10.3 m-85 -80.48 -55.5 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -40.08 -35.18 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -65.62 -40.83 93.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 87' ' ' GLN . 22.0 mt -83.83 -52.83 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -48.13 -42.97 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -43.81 -46.1 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.446 ' C ' ' H ' ' A' ' 28' ' ' THR . 13.7 t -51.91 135.27 37.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.694 0.759 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.1 Cg_endo -69.79 10.91 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 26' ' ' VAL . 72.3 p -120.82 -17.22 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.495 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 97.3 m-20 -99.85 -21.67 15.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -81.86 12.06 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' CYS . 20.4 m -138.83 119.56 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 36' ' ' GLY . 8.0 t -36.02 103.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.539 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -41.68 -32.64 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.29 -72.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.1 p -98.13 -48.81 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.97 12.25 3.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.52 115.07 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -60.1 142.39 54.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.457 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 9.5 m120 62.78 53.66 1.94 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.7 82.49 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.9 p -45.37 -36.25 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CD1' ' N ' ' A' ' 53' ' ' ILE . 91.3 m95 -81.91 147.88 29.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.39 128.46 10.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -91.72 112.77 24.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.576 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 9.6 mt -65.45 -44.83 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.447 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 1.8 m -41.63 -61.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -93.05 15.33 15.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.93 48.41 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.428 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 m -129.78 166.05 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.495 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 65.7 m-85 -97.85 145.4 26.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.8 mt -139.39 170.55 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.0 p -116.44 150.99 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 42' ' ' TRP . 3.0 tp -35.09 -37.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.78 -72.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 56' ' ' SER . 79.1 m -52.4 -56.25 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 55' ' ' CYS . 38.2 p -30.58 -42.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.486 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -53.05 -49.84 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' CYS . 69.0 p -48.7 -38.95 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.469 ' CE1' ' CZ ' ' A' ' 112' ' ' TYR . 24.0 m-70 -76.63 -41.13 47.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.486 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 31.0 mtm180 -49.64 -37.09 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 t -73.73 -43.11 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.5 mt -44.34 -36.49 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 115.69 130.36 4.69 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.425 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.9 m -41.68 -29.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.19 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -74.11 -38.84 63.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' GLY . 1.0 OUTLIER -74.1 -44.58 53.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -160.37 105.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -76.72 139.61 40.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.5 mm -113.23 140.21 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.419 ' HB3' ' CZ2' ' A' ' 78' ' ' TRP . 11.2 mmm180 -150.75 141.54 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 t -90.09 152.7 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.492 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 76.9 p -90.65 -43.27 10.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -87.65 -65.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.74 -36.51 47.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -108.2 122.05 46.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.8 m -129.49 32.75 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.02 26.35 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.8 m95 -59.71 159.09 9.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 80' ' ' TRP . 1.6 p -105.61 135.66 46.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.818 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.514 ' CE2' ' HA ' ' A' ' 137' ' ' THR . 65.7 m95 -31.31 -42.76 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' SER . 32.2 t80 -65.13 -67.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -49.83 -27.24 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 19' ' ' ILE . 7.9 mt -66.51 -63.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.477 ' CD ' ' HB1' ' A' ' 131' ' ' ALA . 25.2 mmt-85 -53.31 -34.31 56.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 92.7 m -42.51 -48.98 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 77.4 mmm -58.84 -34.06 71.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.466 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 31.4 mt-30 -72.6 -43.15 63.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.474 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 10.5 m -81.36 21.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.15 -86.03 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.84 161.2 35.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 28' ' ' THR . 22.0 m-20 -75.36 -64.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -49.05 -51.36 31.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' ALA . 33.5 m -33.32 -54.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -66.78 -50.33 63.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' ALA . 7.6 t -36.1 -40.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' PHE . 17.8 m -92.8 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.2 t80 -36.17 -43.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.92 -60.77 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -51.53 -51.92 51.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -41.5 -48.08 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.467 ' CD2' ' HB3' ' A' ' 116' ' ' ALA . 60.7 t60 -67.84 -45.23 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.34 47.72 0.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.6 p -64.74 -42.85 94.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.1 t 40.4 44.17 1.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 94.3 m -147.82 153.83 39.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 107' ' ' ASP . 8.8 m120 -115.75 -47.06 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 106' ' ' ASN . 31.5 m-20 -33.25 138.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 99.5 m -77.22 -39.98 46.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 22.1 t-20 -72.73 -6.62 45.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.37 -59.7 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -46.59 -37.43 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.469 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 45.4 m-85 -85.62 -30.5 23.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 11.6 m-80 -86.63 25.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.1 p -110.74 166.51 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -57.77 -56.19 25.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.467 ' HB3' ' CD2' ' A' ' 101' ' ' HIS . . . -43.41 -44.15 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.07 -50.74 63.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 119' ' ' LEU . 31.1 mt-30 -53.2 -61.42 2.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 118' ' ' GLN . 40.7 mt -35.98 -38.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -62.17 -61.18 2.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 20.7 mtm180 -38.92 -66.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -46.25 -52.82 11.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -48.12 -55.84 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.2 mm -46.71 -40.43 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -59.1 -55.37 35.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 t -54.67 -58.12 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 130' ' ' GLN . 32.9 mt -55.92 -58.11 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -37.32 -47.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 133' ' ' ARG . 19.4 t -58.57 -38.58 78.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' LEU . 2.0 pp0? -54.36 -34.44 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.477 ' HB1' ' CD ' ' A' ' 84' ' ' ARG . . . -88.51 -30.77 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.5 m -83.86 -64.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.508 ' O ' ' C ' ' A' ' 134' ' ' LYS . 55.5 ttt-85 -46.35 -43.59 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.508 ' C ' ' O ' ' A' ' 133' ' ' ARG . 5.9 ttpp -29.43 -69.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.429 ' CG ' ' HB2' ' A' ' 138' ' ' ASP . 2.0 t-160 -123.1 -45.3 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.95 -103.71 2.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.514 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 43.7 p -62.43 -49.78 74.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.429 ' HB2' ' CG ' ' A' ' 135' ' ' HIS . 1.0 OUTLIER -60.29 150.33 30.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 140' ' ' TRP . 40.5 mt -91.65 105.2 17.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.515 ' CE2' HD11 ' A' ' 141' ' ' LEU . 11.3 p90 -32.22 -43.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.515 HD11 ' CE2' ' A' ' 140' ' ' TRP . 4.8 mp -33.2 -50.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -144.93 153.36 41.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 46.7 t -74.59 104.83 5.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 24.7 p -171.17 139.89 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -129.81 148.36 18.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.444 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 161.22 46.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 97.4 p -95.05 -29.08 14.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.3 t -88.42 136.25 33.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.466 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.608 0.718 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.559 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.7 133.07 24.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -78.12 173.17 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.019 0.438 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -51.0 -61.94 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -40.22 -65.59 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.07 -50.93 8.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.924 HG23 HD21 ' A' ' 83' ' ' LEU . 74.4 mt -57.64 -39.56 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.1 mt -67.58 -29.87 69.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 7.0 m -70.29 -34.93 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.766 HG23 ' CD ' ' A' ' 87' ' ' GLN . 69.7 mt -76.22 -24.99 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.814 ' CZ ' HG22 ' A' ' 72' ' ' THR . 16.2 m-85 -90.22 -29.6 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 18' ' ' THR . 9.9 ptpt -65.67 -28.35 69.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -80.86 -41.77 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.834 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.658 HD21 ' C ' ' A' ' 86' ' ' MET . 7.6 mp -72.55 -44.42 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mtp-105 -57.12 -44.64 83.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -38.7 -47.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.503 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 2.7 t -55.66 136.82 71.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.6 Cg_endo -69.76 -28.17 25.59 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -85.55 -9.21 57.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' CG ' ' HB ' ' A' ' 26' ' ' VAL . 13.7 m-20 -102.82 -30.11 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ptpt -79.46 13.68 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 31' ' ' VAL . 16.7 m -137.35 118.08 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' VAL . 28.7 t -35.2 106.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.577 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -48.2 -21.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -75.58 -70.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.8 p -97.39 -43.31 7.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 122.33 7.1 7.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.15 124.66 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -67.99 147.94 51.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 8.0 m120 59.77 48.79 2.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.71 80.59 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.376 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -44.23 -62.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -49.16 139.43 10.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.4 137.71 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -103.43 106.16 16.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.466 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.3 mt -60.22 -44.05 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.54 HG22 ' HD2' ' A' ' 121' ' ' ARG . 0.3 OUTLIER -41.57 -58.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -100.54 12.63 36.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.95 49.24 4.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 m -124.55 165.31 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -102.18 133.06 47.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -128.82 170.8 12.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ASP . 24.4 p -116.92 148.31 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 52' ' ' CYS . 5.1 tp -33.23 -34.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' CYS . 9.2 t70 -67.07 -67.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.1 m -63.42 -55.08 27.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' CYS . 82.3 p -33.45 -36.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.94 -48.36 82.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.2 m -52.27 -49.9 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 110.838 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.876 ' HB3' HD11 ' A' ' 69' ' ' ILE . 9.3 m-70 -54.96 -48.82 72.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -51.2 -38.6 53.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 t -62.22 -47.06 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.851 ' HB3' HD13 ' A' ' 66' ' ' LEU . 20.7 mt -47.81 -47.14 31.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.467 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 131.6 126.33 2.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.535 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -38.79 -31.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.467 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 28.6 p-80 -68.44 -43.19 77.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.851 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.1 tt -70.73 -47.72 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -153.36 105.13 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -78.0 134.25 37.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.876 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.1 mm -113.9 136.93 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -147.91 127.91 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -69.5 173.99 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.814 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 67.6 p -118.22 -30.56 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.213 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.72 -36.65 23.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.88 -67.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.85 114.64 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.8 p -117.48 -21.75 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -76.34 50.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.466 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 8.3 m95 -79.14 156.18 28.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' TRP . 20.3 m -102.32 127.89 49.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 82.1 m95 -33.88 -59.29 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -48.8 -47.12 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.485 ' O ' ' C ' ' A' ' 83' ' ' LEU . 87.3 mt-30 -60.11 -67.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.924 HD21 HG23 ' A' ' 16' ' ' ILE . 5.2 mt -30.64 -56.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.512 ' NH1' HD11 ' A' ' 19' ' ' ILE . 71.3 mmt-85 -52.84 -49.21 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 88' ' ' VAL . 75.9 m -37.09 -35.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.658 ' C ' HD21 ' A' ' 23' ' ' LEU . 68.5 mmm -70.84 -43.51 68.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.766 ' CD ' HG23 ' A' ' 19' ' ' ILE . 6.1 mt-30 -71.77 -36.84 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 85' ' ' CYS . 21.7 m -84.04 26.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.93 -92.91 0.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.8 159.64 34.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.471 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -66.01 -68.38 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -42.0 -49.59 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 92' ' ' ALA . 1.9 m -37.88 -47.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.99 -48.68 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 t -39.55 -39.07 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 97' ' ' PHE . 3.6 m -92.15 -56.72 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.5 t80 -34.87 -48.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 117' ' ' ALA . 17.8 m-85 -57.96 -66.63 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -44.58 -50.22 9.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.0 m . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.859 0.361 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 1.1 t30 -77.72 -5.57 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.01 -57.69 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -47.92 -40.42 21.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.422 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 45.1 m-85 -83.04 -26.4 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.4 HD22 HD11 ' A' ' 66' ' ' LEU . 9.1 m120 -89.5 19.52 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.6 p -105.29 163.05 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -55.15 -56.62 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.92 -49.98 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 98' ' ' PHE . . . -57.11 -55.5 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.45 -59.1 3.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.2 mt -38.96 -44.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 121' ' ' ARG . 34.6 t80 -57.63 -66.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.54 ' HD2' HG22 ' A' ' 46' ' ' THR . 12.1 mtm180 -35.26 -65.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -43.82 -52.86 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -49.39 -52.94 25.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.8 mm -48.16 -46.49 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -55.32 -44.87 76.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.9 t -59.59 -68.58 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 130' ' ' GLN . 14.6 mt -45.97 -53.26 10.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -37.16 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 127' ' ' LEU . 46.0 p -68.47 -47.14 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 127' ' ' LEU . 68.8 mt-30 -48.9 -41.47 33.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.3 -42.77 16.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.4 m -61.23 -63.56 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.615 0.722 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HB3' ' CE2' ' A' ' 80' ' ' TRP . 52.9 Cg_endo -69.8 118.85 5.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 m -63.02 167.7 4.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -47.86 -58.71 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -44.47 -62.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.594 ' O ' HD12 ' A' ' 19' ' ' ILE . 37.6 m-20 -46.02 -52.45 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.888 HG23 HD21 ' A' ' 83' ' ' LEU . 77.1 mt -51.66 -40.77 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.069 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.33 -28.07 69.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.8 m -68.86 -31.7 70.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 15' ' ' ASP . 4.1 mp -78.78 -28.57 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.626 ' CZ ' HG22 ' A' ' 72' ' ' THR . 16.6 m-85 -85.3 -43.36 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -47.29 -34.98 7.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -66.88 -41.24 87.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' A' ' 87' ' ' GLN . 34.0 mt -78.64 -57.06 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 10.0 mtp-105 -42.9 -51.24 5.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.2 p -40.28 -35.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 28' ' ' THR . 5.3 t -74.7 135.19 74.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.4 Cg_endo -69.82 1.57 4.35 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.441 ' H ' HG12 ' A' ' 26' ' ' VAL . 72.6 p -106.3 -16.11 14.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -105.48 -28.13 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ptpt -75.68 7.18 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.2 m -136.23 119.97 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.6 t -35.28 112.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -50.71 -26.77 5.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -70.76 -71.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.3 p -97.03 -49.42 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.55 13.57 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.1 124.2 14.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -64.0 139.43 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.473 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 43.5 t30 64.39 52.66 1.23 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.81 80.23 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -40.36 -68.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 68.6 m95 -48.94 143.39 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.31 127.83 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.4 t -86.61 119.88 27.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.536 HG21 ' HG2' ' A' ' 82' ' ' GLN . 23.1 mt -73.92 -56.22 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ILE . 43.6 m -34.71 -43.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.8 -27.38 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.48 37.3 27.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.4 m -118.98 174.64 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.52 140.41 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.0 mt -136.66 169.4 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.5 p -115.4 147.61 40.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.8 tp -32.8 -38.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' CYS . 3.8 m-20 -64.81 -67.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 56' ' ' SER . 67.9 m -62.35 -54.94 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.7 p -33.03 -40.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.79 -47.74 83.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.485 ' HB3' HG21 ' A' ' 108' ' ' THR . 2.7 m -52.58 -41.82 63.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.735 ' HB3' HD11 ' A' ' 69' ' ' ILE . 6.6 m-70 -65.56 -46.24 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -49.39 -34.28 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -67.26 -44.94 78.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.498 HD13 HD22 ' A' ' 66' ' ' LEU . 91.4 mt -44.62 -56.75 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 141.2 127.84 2.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.1 m -41.67 -25.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 111.173 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.428 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 32.4 p-80 -78.37 -38.71 41.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.498 HD22 HD13 ' A' ' 62' ' ' LEU . 1.7 tt -76.17 -40.92 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -159.58 108.17 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -86.16 132.47 34.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.735 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.5 mm -108.53 149.34 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -165.14 122.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -61.61 178.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.626 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 67.4 p -117.91 -41.07 2.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.87 -43.05 25.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.79 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -77.79 -64.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -62.44 129.61 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' HD11 ' A' ' 16' ' ' ILE . 5.5 p -128.09 -25.92 2.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -77.41 46.83 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -71.74 174.96 6.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' TRP . 67.9 m -115.97 121.13 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.512 ' CE2' ' HB3' ' A' ' 11' ' ' PRO . 16.9 m95 -34.56 -37.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -71.38 -51.54 23.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.536 ' HG2' HG21 ' A' ' 45' ' ' ILE . 89.7 mt-30 -56.67 -37.59 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.888 HD21 HG23 ' A' ' 16' ' ' ILE . 18.1 mt -58.64 -54.86 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 23.9 mmt-85 -54.8 -39.74 68.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 124' ' ' ILE . 74.6 m -48.51 -36.01 14.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 81.1 mmm -64.92 -40.6 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.944 ' HA ' HD21 ' A' ' 23' ' ' LEU . 22.2 mt-30 -72.63 -63.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.522 HG11 ' N ' ' A' ' 128' ' ' ALA . 35.7 m -41.96 -30.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -102.38 -109.08 3.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 100.95 155.16 27.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.468 ' ND2' ' HB2' ' A' ' 33' ' ' PHE . 1.8 m-20 -45.64 -68.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -34.94 -63.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -29.81 -64.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.723 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.73 79.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -38.92 -33.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' PHE . 11.9 t -106.15 -51.07 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' SER . 10.5 t80 -32.61 -46.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -61.63 -59.34 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -57.76 -55.04 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.87 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 58' ' ' SER . 70.3 m . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.835 0.35 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -77.38 -8.36 57.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.58 -55.1 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -50.67 -46.87 58.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.466 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 52.8 m-85 -76.38 -23.62 54.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -88.37 20.48 3.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.3 p -101.73 169.89 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -64.53 -49.78 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.12 -43.21 30.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.02 -52.98 61.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -49.48 -62.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.7 mt -42.51 -40.47 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 121' ' ' ARG . 41.9 t80 -61.41 -62.44 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 120' ' ' TYR . 42.1 mtm180 -37.22 -66.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -48.4 -51.46 26.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -43.78 22.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.407 ' CG2' ' HB3' ' A' ' 85' ' ' CYS . 26.4 mm -56.78 -44.04 80.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -61.63 -37.4 83.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 t -66.89 -54.89 17.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.471 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 47.1 mt -57.82 -61.27 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.522 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -40.01 -45.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.4 t -51.68 -39.69 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -60.02 -56.25 23.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.0 73.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.7 m -69.79 -49.36 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.6 ptt85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.574 0.702 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.5 Cg_endo -69.84 125.87 12.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.592 2.195 . . . . 0.0 112.38 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 m -79.7 174.08 11.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -48.93 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -42.35 -62.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -49.97 -54.71 18.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.686 HG23 HD11 ' A' ' 83' ' ' LEU . 65.0 mt -48.43 -33.39 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -73.95 -32.01 63.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 m -57.35 -28.84 63.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.552 HG23 ' OE1' ' A' ' 87' ' ' GLN . 4.9 mp -87.02 -40.44 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.949 ' CZ ' HG22 ' A' ' 72' ' ' THR . 12.4 m-85 -71.6 -27.47 63.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -61.98 -40.18 94.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -68.87 -33.58 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD11 ' HG2' ' A' ' 87' ' ' GLN . 10.7 mp -81.58 -63.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LEU . 43.6 mtp180 -38.18 -51.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.8 p -39.88 -50.18 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 28' ' ' THR . 3.4 t -55.15 130.49 68.31 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.685 0.755 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -2.21 9.74 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.48 ' H ' HG12 ' A' ' 26' ' ' VAL . 44.6 p -104.45 -11.8 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -107.38 -25.3 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -78.19 10.59 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' CYS . 5.3 m -135.27 120.9 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 36' ' ' GLY . 29.3 t -37.57 104.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.606 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.99 -22.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -74.02 -71.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.6 p -96.49 -45.15 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 123.68 9.28 5.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.427 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.32 128.83 29.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -71.11 146.93 48.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.508 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.7 m-20 60.96 50.38 2.06 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.75 80.51 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 p -42.23 -68.03 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.522 ' CD1' ' HA ' ' A' ' 53' ' ' ILE . 85.5 m95 -46.8 143.37 2.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.47 133.82 19.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 t -96.22 113.68 25.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.402 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 13.7 mt -69.64 -44.57 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.188 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 32.1 m -47.85 -46.59 31.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.741 ' O ' HG13 ' A' ' 49' ' ' VAL . 60.1 m-85 -104.68 10.84 34.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.98 44.5 2.77 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 47' ' ' TYR . 18.2 m -125.04 169.98 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -107.13 145.86 31.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.0 mt -142.51 165.78 26.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.8 p -106.75 148.73 28.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.522 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.4 tp -33.91 -33.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' CYS . 13.7 t70 -69.0 -72.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 56' ' ' SER . 85.9 m -55.12 -55.59 29.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' CYS . 61.7 p -32.57 -37.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.6 -50.04 62.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.53 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.2 m -51.38 -42.04 61.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.918 ' HB3' HD11 ' A' ' 69' ' ' ILE . 12.7 m-70 -64.4 -46.36 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -55.31 -35.81 65.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -67.15 -53.71 28.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 59' ' ' HIS . 15.8 mt -40.03 -51.61 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 139.71 124.5 2.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -38.6 -29.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 63' ' ' GLY . 21.5 p80 -68.82 -45.17 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -67.11 -44.61 79.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.401 ' OG ' ' CE1' ' A' ' 47' ' ' TYR . 1.8 m -156.48 109.8 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -81.92 129.2 34.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.918 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.1 mm -108.72 138.43 35.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -144.28 148.48 34.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.42 132.41 39.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.949 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 60.4 p -77.62 -46.41 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.69 -73.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.9 mt -42.75 -66.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.84 137.86 37.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.5 p -129.01 -8.2 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -86.7 50.54 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.402 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 6.4 m95 -73.89 -177.73 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' GLN . 9.6 m -124.89 129.02 49.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.437 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 39.5 m95 -39.13 -50.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -57.32 -37.96 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' SER . 84.1 mt-30 -73.98 -26.57 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.686 HD11 HG23 ' A' ' 16' ' ' ILE . 4.2 mm? -66.68 -52.23 47.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 22.2 mmt-85 -63.03 -34.75 78.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.7 m -50.27 -30.88 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.427 ' C ' HD21 ' A' ' 23' ' ' LEU . 89.4 mmm -73.99 -46.0 46.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.552 ' OE1' HG23 ' A' ' 19' ' ' ILE . 3.8 mt-30 -64.84 -61.33 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 128' ' ' ALA . 13.1 m -49.44 -18.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.65 -116.28 4.17 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.34 160.05 13.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.483 ' ND2' ' HB2' ' A' ' 33' ' ' PHE . 4.7 m-20 -63.07 -57.9 9.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -55.6 -49.68 72.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 92' ' ' ALA . 13.7 m -34.25 -53.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.36 -47.37 56.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' ALA . 30.0 t -35.61 -39.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 97' ' ' PHE . 72.0 m -90.94 -58.05 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.5 t80 -34.21 -54.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -49.25 -54.04 18.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.4 t-160 -62.49 -55.17 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 99' ' ' HIS . 11.5 mm100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 58' ' ' SER . 55.2 m . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.835 0.35 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -77.96 -7.74 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.31 -59.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -45.03 -38.99 5.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.409 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 47.1 m-85 -84.36 -28.63 26.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -85.7 21.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.1 p -101.61 173.47 6.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -69.99 -47.16 63.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.11 -43.95 61.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.41 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' LEU . 20.6 mt-30 -52.68 -62.58 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' GLN . 67.8 mt -37.48 -43.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.496 ' CE1' HD11 ' A' ' 124' ' ' ILE . 9.9 t80 -58.73 -58.76 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 23.0 mtm180 -41.23 -65.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -47.0 -51.26 17.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -47.66 -50.82 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.496 HD11 ' CE1' ' A' ' 120' ' ' TYR . 34.3 mm -50.39 -39.39 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -58.78 -51.9 68.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.9 m -57.97 -51.34 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 130' ' ' GLN . 29.6 mt -60.17 -63.69 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -35.19 -38.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m -61.96 -45.23 94.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -51.57 -36.46 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -84.79 -33.66 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.5 m -71.55 -66.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.75 126.88 13.83 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.283 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -65.89 169.77 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -53.2 -58.22 7.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -44.7 -60.62 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -44.88 -52.12 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.557 HD11 ' O ' ' A' ' 76' ' ' SER . 69.6 mt -51.12 -55.68 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 18' ' ' THR . 95.7 mt -40.06 -67.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' LEU . 4.1 m -36.99 -67.46 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.834 ' CD1' HD13 ' A' ' 83' ' ' LEU . 63.6 mt -37.15 -36.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CZ ' HG22 ' A' ' 72' ' ' THR . 12.1 m-85 -82.16 -60.65 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' PHE . 6.1 pttp -36.93 -39.34 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -60.69 -44.22 96.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.694 HD21 ' HA ' ' A' ' 87' ' ' GLN . 67.1 mt -76.85 -44.19 33.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' SER . 38.8 mtp180 -49.24 -49.44 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -35.9 -51.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 28' ' ' THR . 6.0 t -48.99 131.41 15.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.689 0.757 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 4.23 2.29 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.447 ' H ' HG12 ' A' ' 26' ' ' VAL . 68.7 p -113.75 -16.33 12.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -100.22 -26.25 13.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -76.68 7.99 4.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.0 m -136.27 121.94 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 8.2 t -37.04 105.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -44.78 -30.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.404 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 2.8 t0 -64.46 -72.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.3 p -98.5 -48.89 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 128.26 12.54 2.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 116.53 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -59.67 143.11 51.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.478 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.8 m-20 63.05 52.12 1.55 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.1 Cg_endo -69.88 79.98 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -40.73 -67.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -48.89 147.42 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.18 124.68 8.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -89.58 113.25 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.612 HD13 ' CD ' ' A' ' 82' ' ' GLN . 12.5 mt -64.71 -49.59 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -36.36 -63.45 0.39 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -91.38 5.0 51.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.31 55.48 7.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 91' ' ' ASN . 3.1 m -135.41 168.6 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.084 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -101.79 143.85 31.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 23.1 mt -140.27 168.47 19.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' ILE . 30.5 p -111.67 147.7 34.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.9 tp -34.62 -36.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' CYS . 2.2 m-20 -66.28 -58.09 6.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.79 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' GLY . 79.0 m -69.12 -54.19 16.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 55' ' ' CYS . 57.8 p -33.38 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.98 -48.89 79.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -50.18 -40.72 47.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 -179.752 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.867 ' HB3' HD11 ' A' ' 69' ' ' ILE . 20.5 m-70 -69.56 -44.0 71.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -53.33 -38.06 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -66.14 -46.12 78.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.465 HD13 HD22 ' A' ' 66' ' ' LEU . 98.4 mt -44.94 -55.9 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.508 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.86 127.49 2.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -41.53 -28.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.508 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 37.5 p-80 -73.47 -42.28 62.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.465 HD22 HD13 ' A' ' 62' ' ' LEU . 1.1 tt -72.25 -46.41 56.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -152.67 104.93 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.94 133.7 36.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.867 HD11 ' HB3' ' A' ' 59' ' ' HIS . 4.1 mm -107.79 145.13 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.175 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -159.07 126.68 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.03 174.08 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.606 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 79.9 p -115.78 -39.8 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.95 -40.95 27.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.6 mt -82.63 -66.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.34 126.7 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.557 ' O ' HD11 ' A' ' 16' ' ' ILE . 4.1 p -127.05 -21.49 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -81.99 48.53 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.458 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 7.1 m95 -73.14 178.35 4.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 80' ' ' TRP . 70.4 m -122.65 124.12 42.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.474 ' CZ2' ' HB3' ' A' ' 11' ' ' PRO . 30.8 m95 -33.82 -43.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -65.6 -51.23 61.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.612 ' CD ' HD13 ' A' ' 45' ' ' ILE . 15.0 mt-30 -58.43 -34.84 71.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.834 HD13 ' CD1' ' A' ' 19' ' ' ILE . 9.8 mt -60.89 -62.05 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' GLN . 16.8 mmt-85 -43.88 -47.77 8.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.1 m -39.04 -42.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 79.3 mmm -65.91 -39.86 90.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.813 HE21 HG23 ' A' ' 19' ' ' ILE . 16.2 mm-40 -68.17 -60.64 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.418 HG11 ' C ' ' A' ' 127' ' ' LEU . 24.0 m -51.82 -28.56 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.7 -138.95 10.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.83 160.27 8.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.432 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.448 ' HA ' HG12 ' A' ' 49' ' ' VAL . 2.2 m120 -54.49 -52.57 61.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.836 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -60.46 -49.76 76.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' ALA . 3.4 m -36.23 -50.06 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.21 -50.32 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 t -38.18 -42.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -86.77 -47.57 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.88 -56.85 4.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -50.71 -62.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.58 -51.52 20.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.468 HG23 ' CD2' ' A' ' 112' ' ' TYR . 98.7 m . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.803 0.335 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -74.91 -8.07 55.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.24 -58.56 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.024 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -47.77 -41.51 23.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.468 ' CD2' HG23 ' A' ' 108' ' ' THR . 46.5 m-85 -80.79 -30.61 35.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.46 ' ND2' HD11 ' A' ' 66' ' ' LEU . 11.7 m120 -87.64 27.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.9 p -111.5 172.68 6.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -64.28 -54.97 24.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.02 -43.45 14.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.95 -54.01 45.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -51.69 -62.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.5 mt -37.01 -42.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.424 ' CE1' HD11 ' A' ' 124' ' ' ILE . 22.3 t80 -57.82 -64.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 120' ' ' TYR . 13.3 mtm105 -36.99 -62.72 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -44.48 -51.71 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -49.22 -52.79 24.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 120' ' ' TYR . 45.4 mm -49.64 -42.71 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.56 -46.15 87.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 t -58.6 -51.29 70.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.418 ' C ' HG11 ' A' ' 88' ' ' VAL . 21.5 mt -66.33 -54.82 20.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -40.32 -40.74 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 t -58.99 -39.23 81.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 127' ' ' LEU . 43.1 mt-30 -59.51 -59.47 5.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.458 ' O ' ' NE ' ' A' ' 84' ' ' ARG . . . -61.51 -27.13 68.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.2 m -72.73 -60.39 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.6 ptt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 121.606 0.717 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.78 138.89 38.84 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.695 2.263 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.75 173.91 8.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -49.86 -40.57 42.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -65.54 -39.37 91.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' HD12 ' A' ' 19' ' ' ILE . 5.7 m-20 -68.83 -43.09 76.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.456 HG23 HD21 ' A' ' 83' ' ' LEU . 40.1 mt -62.12 -35.09 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.88 -31.24 70.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.6 m -68.06 -37.48 81.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 83' ' ' LEU . 2.4 mp -75.72 -25.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.605 ' CZ ' HG22 ' A' ' 72' ' ' THR . 7.8 m-85 -87.54 -33.4 18.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -53.06 -35.83 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 tpt85 -78.13 -24.49 47.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -78.8 -64.2 1.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 35.4 mtp180 -44.37 -41.3 6.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 t -40.38 -52.47 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 2.3 t -56.24 136.55 75.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.584 0.707 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.5 Cg_endo -69.81 -10.09 27.68 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.487 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 51.1 p -101.59 -12.26 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -99.78 -32.1 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' CE ' ' O ' ' A' ' 24' ' ' ARG . 16.3 ptpt -74.19 5.52 4.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 m -135.41 128.42 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' GLY . 29.5 t -43.36 105.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.436 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 0.5 OUTLIER -47.17 -24.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.07 -71.23 0.29 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.0 p -96.35 -44.79 7.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 122.29 9.8 6.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.492 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.17 126.75 26.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.402 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -68.55 145.84 53.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.7 t-20 63.01 52.65 1.65 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.4 Cg_endo -69.9 80.17 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.623 2.215 . . . . 0.0 112.318 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 p -40.25 -66.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.811 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.471 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 62.2 m95 -52.62 151.21 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.63 126.55 6.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.06 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -86.75 115.39 24.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.577 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 17.6 mt -69.68 -43.53 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.459 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 69.2 m -46.09 -53.97 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -96.79 4.0 51.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.45 44.35 21.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.94 169.28 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -106.56 136.6 46.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -134.26 171.63 13.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' ILE . 22.7 p -116.01 149.23 39.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 54' ' ' ASP . 2.3 tp -31.09 -46.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.205 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 53' ' ' ILE . 46.8 m-20 -58.97 -68.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLY . 72.0 m -58.71 -58.01 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' CYS . 58.4 p -33.47 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.32 -48.49 80.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.658 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.2 m -51.08 -48.78 61.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.697 ' HA ' HD12 ' A' ' 62' ' ' LEU . 23.8 m-70 -59.12 -44.83 92.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.446 ' CG ' HG13 ' A' ' 69' ' ' ILE . 68.9 mtp180 -55.31 -37.03 66.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 t -62.99 -50.49 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 59' ' ' HIS . 11.9 mt -45.18 -64.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 150.73 129.49 1.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -41.95 -27.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.423 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 54.9 p-80 -68.47 -47.94 65.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 65' ' ' HIS . 2.6 tt -70.07 -42.74 72.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -155.98 117.44 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -91.4 139.3 30.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.668 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.4 mm -114.41 154.98 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 9.5 mtp180 -167.87 131.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.5 m -78.14 156.59 29.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.605 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 30.8 p -98.42 -39.93 8.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.17 -52.75 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -73.15 -57.35 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.37 108.99 16.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.7 m -119.13 35.44 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -116.88 34.14 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.577 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 12.5 m95 -69.06 161.96 27.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.33 151.88 26.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.576 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 61.1 m95 -46.14 -40.73 11.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -71.0 -58.79 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -55.32 -14.99 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.671 HD13 HD13 ' A' ' 19' ' ' ILE . 26.2 mt -81.35 -57.34 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -59.9 -24.61 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.496 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 66.3 m -59.5 -31.58 69.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 84.3 mmm -70.09 -35.26 74.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.84 -64.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 22.2 m -43.65 -23.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.41 -114.14 3.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.29 164.41 15.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.42 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 28' ' ' THR . 2.0 m-20 -68.3 -56.13 9.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -54.63 -51.2 66.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ALA . 61.2 m -34.71 -53.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.18 -54.52 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.6 t -35.46 -36.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.1 m -94.62 -51.71 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -39.09 -55.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -47.89 -60.29 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -53.9 -55.21 28.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.658 HG21 ' HB3' ' A' ' 58' ' ' SER . 97.2 m . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.763 0.316 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -84.65 1.79 44.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.28 -46.02 2.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -56.75 -45.08 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.64 ' HE2' HG23 ' A' ' 108' ' ' THR . 23.0 m-85 -81.14 -22.29 39.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -89.94 17.95 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.1 p -103.6 159.34 15.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -54.28 -59.7 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -38.17 -52.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.1 -53.16 54.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 119' ' ' LEU . 24.1 mt-30 -52.2 -61.86 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 118' ' ' GLN . 62.7 mt -36.42 -40.27 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.576 ' CE1' HD11 ' A' ' 124' ' ' ILE . 39.2 t80 -62.6 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 20.2 mtm180 -35.59 -64.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -45.89 -52.09 12.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -50.76 -51.92 45.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.576 HD11 ' CE1' ' A' ' 120' ' ' TYR . 24.5 mm -44.02 -40.23 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -68.33 -42.01 79.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -61.34 -41.61 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 130' ' ' GLN . 24.6 mt -78.2 -55.78 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.496 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -39.82 -31.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.9 p -72.35 -39.94 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -53.95 -35.33 61.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -88.59 -32.36 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.1 m -74.02 -64.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.71 132.75 24.07 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.786 2.324 . . . . 0.0 112.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m -80.57 177.41 9.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.971 0.415 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -55.15 -57.63 10.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -44.81 -53.12 7.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.59 -51.72 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.569 HG23 HD21 ' A' ' 83' ' ' LEU . 68.3 mt -57.42 -34.39 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.57 -41.78 92.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -64.84 -59.89 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.991 ' CD1' HD13 ' A' ' 83' ' ' LEU . 95.8 mt -41.93 -38.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 72' ' ' THR . 14.1 m-85 -80.18 -60.98 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 22' ' ' ARG . 9.3 pttp -35.97 -46.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 21' ' ' LYS . 24.3 ttt85 -53.79 -45.15 70.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' PHE . 86.7 mt -76.3 -38.33 56.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -53.0 -49.78 65.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -38.85 -42.11 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 3.9 t -59.67 137.19 89.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.694 0.759 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.4 Cg_endo -69.89 -32.21 18.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.308 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -82.65 -6.36 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -106.75 -31.31 8.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 14.3 ptpt -78.19 11.56 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.5 m -133.9 125.86 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLY . 11.7 t -44.17 110.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.21 -28.98 2.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.08 -71.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 p -97.5 -47.04 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 121.96 13.12 5.1 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.25 128.17 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -68.09 142.83 55.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.483 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 9.8 m120 61.73 51.73 2.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.4 Cg_endo -69.78 80.04 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.228 . . . . 0.0 112.43 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 p -40.69 -65.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.431 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 81.5 m95 -50.89 145.39 7.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.89 124.18 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.085 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -83.45 119.43 24.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.569 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 23.4 mt -77.25 -46.69 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 26.6 m -50.03 -42.05 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.732 ' O ' HG13 ' A' ' 49' ' ' VAL . 54.0 m-85 -105.3 12.56 31.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.57 54.33 1.05 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 47' ' ' TYR . 15.8 m -139.15 157.36 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -92.3 142.95 26.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -139.29 168.85 18.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.4 p -114.0 146.96 39.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.1 tp -32.39 -40.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' N ' HG23 ' A' ' 53' ' ' ILE . 5.9 t70 -61.7 -69.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.1 m -58.3 -55.89 29.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' CYS . 53.6 p -33.95 -33.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.77 -48.65 80.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -52.05 -47.15 65.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.92 0.39 . . . . 0.0 110.892 -179.731 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.826 ' HB3' HD11 ' A' ' 69' ' ' ILE . 19.4 m-70 -58.68 -47.87 83.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -53.5 -38.6 63.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.1 m -60.73 -47.67 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.711 ' HB3' HD22 ' A' ' 66' ' ' LEU . 14.9 mt -48.91 -55.71 10.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 141.32 125.12 2.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -36.55 -34.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 63' ' ' GLY . 21.8 p80 -64.22 -46.44 83.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.711 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -67.75 -49.48 62.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.589 ' CB ' ' HD1' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -148.88 105.48 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -78.45 131.31 36.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.826 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.8 mm -111.03 136.55 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -147.96 129.29 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 t -69.71 162.52 27.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 66.4 p -103.52 -27.82 12.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -104.79 -45.77 4.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.47 37.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -171.22 115.93 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -119.69 35.48 4.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -121.78 40.03 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.569 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.7 m95 -81.92 146.53 29.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' TRP . 12.1 p -97.99 138.94 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 94.8 m95 -36.43 -41.69 0.3 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -66.63 -61.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.479 ' HG2' HG21 ' A' ' 45' ' ' ILE . 90.6 mt-30 -49.94 -32.45 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.991 HD13 ' CD1' ' A' ' 19' ' ' ILE . 12.9 mt -65.41 -67.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 45.3 mmt-85 -49.2 -40.1 32.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 82.3 m -45.12 -23.06 0.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 77.9 mmm -86.83 -40.94 14.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.965 ' NE2' HG23 ' A' ' 19' ' ' ILE . 89.8 mt-30 -73.02 -26.13 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.526 HG21 ' N ' ' A' ' 128' ' ' ALA . 27.6 m -91.47 19.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -135.11 -96.11 0.51 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.07 163.87 26.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.19 -70.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -40.64 -50.2 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ALA . 5.3 m -34.11 -50.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -74.82 -51.55 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 94' ' ' ALA . 25.9 t -35.05 -37.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' PHE . 30.6 t -95.27 -54.91 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.4 t80 -34.45 -51.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -51.62 -50.94 59.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -65.81 -47.77 73.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.881 0.372 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -81.97 -9.01 59.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.83 -54.67 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -47.71 -41.32 22.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.461 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 46.4 m-85 -83.27 -28.06 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -87.15 20.63 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 p -101.06 171.19 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -67.15 -49.95 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.95 -42.56 48.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.74 76.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' LEU . 25.7 mt-30 -53.41 -60.36 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' GLN . 58.2 mt -36.82 -45.65 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 121' ' ' ARG . 18.6 t80 -57.21 -66.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.474 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 28.6 mtm180 -34.71 -64.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -46.96 -56.96 5.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -41.22 -56.97 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 30.9 mm -48.55 -36.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.38 -52.74 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.9 m -58.12 -65.28 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 130' ' ' GLN . 29.1 mt -47.82 -53.96 13.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.526 ' N ' HG21 ' A' ' 88' ' ' VAL . . . -35.32 -33.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 127' ' ' LEU . 23.8 p -72.53 -45.23 60.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.8 pt20 -46.14 -26.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 84' ' ' ARG . . . -103.83 -21.09 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.2 m -95.45 -61.13 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.541 0.686 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.68 136.67 33.82 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -79.43 162.35 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -45.19 -60.29 2.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -41.76 -56.89 2.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -52.1 -48.63 64.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.906 HG23 HD21 ' A' ' 83' ' ' LEU . 55.0 mt -58.69 -34.27 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.66 -34.55 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -70.14 -37.66 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.617 HG23 ' NE2' ' A' ' 87' ' ' GLN . 71.1 mt -67.66 -31.11 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CZ ' HG22 ' A' ' 72' ' ' THR . 11.2 m-85 -85.22 -47.97 9.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -36.94 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -64.77 -38.16 90.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD11 ' HG2' ' A' ' 87' ' ' GLN . 69.3 mt -81.25 -58.45 3.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 25' ' ' SER . 7.5 mtp-105 -39.27 -46.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' ARG . 35.7 t -37.13 -51.51 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 7.5 t -52.21 134.62 41.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.66 0.743 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.1 Cg_endo -69.68 5.95 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.3 p -115.34 -15.82 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -99.77 -28.14 13.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -75.6 6.08 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 m -134.77 127.63 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' GLY . 12.3 t -43.5 114.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -51.1 -30.39 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 4.7 t70 -66.94 -71.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.2 p -98.16 -48.11 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.44 9.41 4.5 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.427 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.01 121.89 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.09 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -65.85 143.97 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.456 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 94.6 m-20 62.14 53.51 2.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.71 82.27 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.38 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.49 -43.04 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -72.91 142.3 47.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB1' ' CE ' ' A' ' 86' ' ' MET . . . -149.35 125.44 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 t -89.25 114.06 25.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.612 HG21 ' HG2' ' A' ' 82' ' ' GLN . 12.6 mt -66.44 -43.54 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 29.9 m -41.98 -54.95 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' A' ' 46' ' ' THR . 57.0 m-85 -100.19 7.57 44.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.37 45.76 16.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 91' ' ' ASN . 2.1 m -124.83 164.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -101.6 131.96 47.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -125.45 175.71 7.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.1 p -119.44 151.19 38.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.5 tp -34.22 -41.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.95 -74.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 56' ' ' SER . 76.8 m -51.16 -57.19 9.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' CYS . 69.3 p -31.56 -40.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.49 -49.82 59.28 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.3 m -51.38 -40.24 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.881 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.801 ' HB3' HD11 ' A' ' 69' ' ' ILE . 9.4 m-70 -67.71 -43.35 80.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -53.63 -34.21 57.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.5 m -68.37 -50.7 51.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.774 ' HB3' HD13 ' A' ' 66' ' ' LEU . 58.9 mt -42.09 -49.07 4.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 130.39 127.96 2.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -38.7 -35.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -64.5 -43.93 92.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.774 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.4 tt -71.53 -43.0 67.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -157.96 112.87 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -86.49 132.61 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.801 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.6 mm -107.51 133.89 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -146.85 127.7 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 m -68.89 -177.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.597 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 57.9 p -125.39 -38.32 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -79.94 -37.21 35.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mp -91.73 -62.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.96 112.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 p -112.48 -22.69 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -76.01 53.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.495 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.3 m95 -85.74 134.31 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 80' ' ' TRP . 53.3 p -81.67 129.87 34.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.552 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 70.9 m95 -32.93 -39.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' SER . 44.2 t80 -68.17 -59.11 3.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.612 ' HG2' HG21 ' A' ' 45' ' ' ILE . 66.8 mt-30 -47.05 -39.96 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.906 HD21 HG23 ' A' ' 16' ' ' ILE . 7.7 mt -57.32 -63.54 1.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HD2' ' HB1' ' A' ' 131' ' ' ALA . 50.4 mmt-85 -51.09 -46.42 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.8 m -39.2 -32.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.463 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 81.6 mmm -72.85 -46.2 54.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.618 ' HG2' HD11 ' A' ' 23' ' ' LEU . 19.7 mt-30 -65.47 -59.85 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.489 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 26.8 m -45.96 -22.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.8 -121.19 4.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.26 159.87 10.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.429 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.403 ' HA ' HG12 ' A' ' 49' ' ' VAL . 2.1 m120 -61.55 -61.44 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.823 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -50.26 -51.6 43.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' ALA . 2.7 m -34.36 -53.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -70.72 -53.11 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 94' ' ' ALA . 21.5 t -34.87 -36.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' ALA . 50.7 m -96.62 -52.25 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' SER . 26.3 t80 -36.0 -56.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.791 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CZ ' ' HE2' ' A' ' 111' ' ' LYS . 32.4 m-85 -45.98 -52.01 12.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.5 t-160 -67.97 -58.25 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 99' ' ' HIS . 80.1 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.0 m . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.82 0.343 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -81.15 -10.43 59.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.77 -59.14 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.523 ' HE2' ' CZ ' ' A' ' 98' ' ' PHE . 55.9 tttt -45.09 -42.99 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -78.9 -31.45 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -85.73 22.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 p -101.19 175.49 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -66.77 -53.32 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.811 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.21 -50.21 39.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.15 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -59.6 -59.36 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 68.4 mt -44.66 -33.91 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -64.83 -49.66 69.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 8.1 mtm105 -56.75 -58.7 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 7.6 pt-20 -49.93 -40.94 45.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.519 ' N ' ' HG3' ' A' ' 122' ' ' GLU . 3.8 ttmm -60.31 -47.41 86.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 46.0 mm -54.89 -32.49 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -64.78 -53.24 50.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.1 t -58.45 -49.67 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.489 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 11.2 mt -59.81 -59.4 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.468 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -36.46 -31.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.7 m -68.31 -44.73 74.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.7 pt20 -51.84 -44.39 63.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -77.19 -40.11 46.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.4 m -63.66 -68.76 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.541 0.686 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.3 Cg_endo -69.7 120.84 7.57 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -77.87 164.11 25.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -41.7 -56.59 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -42.92 -62.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -51.57 -48.75 63.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.922 HG23 HD11 ' A' ' 83' ' ' LEU . 68.9 mt -58.79 -35.4 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.74 -44.71 92.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' LYS . 49.4 m -56.8 -67.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.938 HD13 ' HB3' ' A' ' 83' ' ' LEU . 15.4 mt -39.36 -33.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.666 ' CZ ' HG22 ' A' ' 72' ' ' THR . 9.0 m-85 -84.62 -34.76 23.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -63.17 -35.17 79.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -70.26 -40.15 74.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 19' ' ' ILE . 5.3 mp -73.17 -59.24 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' SER . 31.1 mtp180 -40.83 -51.16 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' ARG . 32.4 t -38.07 -39.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.509 HG13 ' HD2' ' A' ' 27' ' ' PRO . 25.8 t -62.24 136.68 95.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.509 ' HD2' HG13 ' A' ' 26' ' ' VAL . 53.3 Cg_endo -69.8 12.97 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 91' ' ' ASN . 32.3 p -123.96 -15.89 6.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -102.25 -22.27 14.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -79.97 7.01 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 15.9 m -137.9 127.87 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' GLY . 6.7 t -45.1 116.2 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -50.81 -33.33 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -63.77 -71.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.4 p -99.77 -47.27 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 123.56 12.33 4.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.16 120.01 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -59.29 143.34 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.4 m120 62.65 54.75 2.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.3 Cg_endo -69.82 79.92 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 p -42.21 -66.87 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 70.8 m95 -51.91 149.07 5.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.1 126.58 10.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.148 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -92.24 111.01 22.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.569 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.1 mt -64.79 -42.54 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 m -39.2 -62.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.481 ' O ' HG13 ' A' ' 49' ' ' VAL . 51.0 m-85 -95.8 11.27 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.41 43.66 10.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 47' ' ' TYR . 10.3 m -121.37 169.8 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.423 ' O ' HD23 ' A' ' 51' ' ' LEU . 26.3 m-85 -102.74 143.67 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 50' ' ' PHE . 33.5 mt -138.16 166.99 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 29.0 p -112.45 146.6 38.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.511 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 2.0 tp -31.93 -38.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' CYS . 2.0 t70 -66.26 -71.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 57' ' ' GLY . 80.5 m -53.12 -55.78 21.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' CYS . 55.4 p -32.98 -35.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.65 -49.47 65.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.45 ' OG ' HG21 ' A' ' 108' ' ' THR . 0.9 OUTLIER -49.49 -48.42 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.685 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.791 ' HB3' HD11 ' A' ' 69' ' ' ILE . 26.8 m-70 -60.63 -48.9 79.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 10.9 mtp-105 -52.59 -37.58 58.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 m -62.46 -48.14 80.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 59' ' ' HIS . 12.0 mt -48.5 -53.28 18.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 65' ' ' HIS . . . 140.72 123.95 2.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 m -37.82 -28.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 63' ' ' GLY . 19.6 p80 -69.91 -45.45 67.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -67.83 -50.44 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 105.48 3.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -76.46 129.05 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.791 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.4 mm -109.92 136.3 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -146.16 139.41 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.4 m -83.73 151.92 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.666 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 52.1 p -95.18 -51.3 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -73.35 -65.29 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.66 -62.04 1.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.67 125.21 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 m -128.39 30.86 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -117.37 40.48 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.569 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.6 m95 -72.71 171.15 13.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' TRP . 8.3 m -113.91 137.34 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.809 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.547 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 37.2 m95 -36.55 -55.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -56.41 -45.84 80.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -66.91 -27.3 67.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.938 ' HB3' HD13 ' A' ' 19' ' ' ILE . 1.3 mm? -66.9 -50.35 62.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HD2' ' NE2' ' A' ' 87' ' ' GLN . 10.1 mmt-85 -62.35 -40.98 98.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.438 ' HA ' HG22 ' A' ' 88' ' ' VAL . 91.1 m -38.2 -49.45 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.429 ' C ' HD21 ' A' ' 23' ' ' LEU . 64.4 mmm -62.76 -34.78 77.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.938 ' OE1' HG23 ' A' ' 19' ' ' ILE . 9.3 mt-30 -73.46 -42.37 62.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 127' ' ' LEU . 23.3 m -79.86 15.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.81 -104.3 0.66 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.36 162.47 37.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.475 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -56.73 -65.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.902 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -33.48 -63.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -31.17 -64.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.48 84.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.095 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.0 t -38.65 -36.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.792 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 97' ' ' PHE . 66.7 m -102.06 -48.56 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 96' ' ' SER . 11.5 t80 -35.3 -53.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -55.08 -61.62 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -48.34 -54.21 14.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.45 HG21 ' OG ' ' A' ' 58' ' ' SER . 73.2 m . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.805 0.336 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -75.77 -8.16 56.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.12 -49.84 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.476 ' NZ ' ' CE1' ' A' ' 112' ' ' TYR . 17.9 tttm -50.95 -43.96 60.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.629 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 50.9 m-85 -81.39 -25.79 35.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -88.72 22.09 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 p -105.26 172.91 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -65.61 -56.2 13.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.79 -51.18 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.27 75.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.0 -58.75 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.1 mt -41.16 -36.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.496 ' CZ ' HD11 ' A' ' 124' ' ' ILE . 21.7 t80 -65.26 -63.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 120' ' ' TYR . 14.1 mtm105 -33.9 -63.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -45.83 -57.98 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -41.22 -54.12 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.496 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 29.3 mm -44.66 -48.1 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 19.9 ttpp -50.85 -57.95 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.0 t -51.06 -65.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.498 ' O ' HG11 ' A' ' 88' ' ' VAL . 18.3 mt -51.38 -34.32 33.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 125' ' ' LYS . . . -61.86 -46.16 90.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 94.2 p -58.58 -37.91 76.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -50.95 -72.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.06 -50.21 20.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -58.7 -75.68 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.6 ttm105 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.551 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.0 Cg_endo -69.75 153.33 69.1 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.669 2.246 . . . . 0.0 112.408 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.6 m -90.4 168.23 12.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -52.12 -55.77 18.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -50.12 -53.29 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.36 -48.61 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.874 HG23 HD21 ' A' ' 83' ' ' LEU . 35.5 mt -61.49 -43.2 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -48.58 -37.63 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 19' ' ' ILE . 1.5 m -64.55 -67.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.4 mp -33.27 -38.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.872 ' CZ ' HG22 ' A' ' 72' ' ' THR . 26.3 m-85 -82.44 -55.28 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -42.36 -40.33 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 3.7 tpm_? -61.15 -39.48 90.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.802 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 87' ' ' GLN . 53.6 mt -83.24 -59.34 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 23' ' ' LEU . 67.7 mtp180 -34.95 -48.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.0 p -39.3 -47.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 8.6 t -57.53 135.96 82.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.454 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.9 Cg_endo -69.78 3.91 2.51 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.728 2.285 . . . . 0.0 112.36 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 80.4 p -114.66 -4.49 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -113.47 -22.88 10.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -82.37 9.31 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 31' ' ' VAL . 15.2 m -134.62 117.43 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' GLY . 3.0 t -37.48 116.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -49.33 -34.69 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.22 -69.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.3 p -103.69 -46.75 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.19 11.25 3.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 52' ' ' CYS . . . -46.47 127.32 9.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -68.1 139.38 56.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.492 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 71.5 m-80 62.8 51.63 1.58 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.0 Cg_endo -69.85 79.67 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -43.21 -63.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.418 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 53.5 m95 -51.71 145.79 8.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.47 ' HB1' ' HE1' ' A' ' 86' ' ' MET . . . -152.59 135.28 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 5.0 t -92.06 99.35 12.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.549 HD13 ' CD ' ' A' ' 82' ' ' GLN . 14.7 mt -50.65 -51.11 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.634 HG22 ' HG2' ' A' ' 121' ' ' ARG . 74.8 m -39.72 -60.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.412 ' O ' HG13 ' A' ' 49' ' ' VAL . 87.0 m-85 -92.4 4.5 53.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' SER . . . 46.46 40.86 11.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 47' ' ' TYR . 9.1 m -115.07 165.54 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -100.6 132.97 45.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.6 mt -129.05 164.54 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 53' ' ' ILE . 29.9 p -109.56 151.38 26.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 54' ' ' ASP . 2.1 tp -32.07 -48.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.534 ' N ' HG23 ' A' ' 53' ' ' ILE . 22.8 t0 -59.87 -71.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 56' ' ' SER . 61.8 m -53.52 -58.78 5.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' CYS . 85.0 p -33.75 -37.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.3 -48.35 64.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' CYS . 4.1 m -52.43 -50.22 63.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.915 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.812 ' HB3' HD11 ' A' ' 69' ' ' ILE . 14.4 m-70 -57.51 -41.64 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.438 ' CG ' HG13 ' A' ' 69' ' ' ILE . 70.8 mtp180 -54.75 -37.93 66.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.7 t -68.43 -41.21 80.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.2 mt -44.3 -56.31 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 142.46 127.84 2.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -38.26 -31.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -75.48 -43.4 49.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.7 OUTLIER -66.9 -49.15 66.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.1 m -155.45 104.99 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -82.99 128.42 34.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.812 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.3 mm -106.65 152.65 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 21.3 mtt-85 -165.51 122.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 m -55.56 154.06 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.872 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 17.9 p -105.48 -38.79 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -81.35 -43.46 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.1 mt -81.97 -70.57 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.96 124.13 19.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.7 m -127.43 32.63 4.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.55 40.52 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.534 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 7.2 m95 -71.55 157.16 38.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -96.48 138.79 33.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.551 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 66.8 m95 -41.82 -49.11 4.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -65.81 -46.91 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.549 ' CD ' HD13 ' A' ' 45' ' ' ILE . 17.4 mt-30 -61.72 -18.66 60.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.874 HD21 HG23 ' A' ' 16' ' ' ILE . 27.5 mt -78.53 -61.92 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.51 ' O ' HG22 ' A' ' 88' ' ' VAL . 17.7 mmt180 -49.45 -33.82 15.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 70.7 m -52.99 -38.24 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.47 ' HE1' ' HB1' ' A' ' 43' ' ' ALA . 69.2 mmm -66.8 -46.41 75.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.784 ' HA ' HD21 ' A' ' 23' ' ' LEU . 26.4 mt-30 -68.62 -59.61 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 84' ' ' ARG . 18.6 m -51.0 -16.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -107.38 -111.76 3.58 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.05 172.89 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 28' ' ' THR . 2.7 m-20 -73.37 -67.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -40.97 -52.74 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ALA . 66.8 m -34.38 -56.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.32 -48.68 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.038 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.6 t -41.39 -38.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.0 m -91.63 -46.98 7.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' PHE . 6.8 t80 -45.69 -54.63 7.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -51.36 -52.71 43.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' GLN . 15.5 t-160 -57.19 -54.74 43.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' HIS . 7.1 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.523 HG23 ' CD2' ' A' ' 112' ' ' TYR . 61.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.795 0.331 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.99 -3.12 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.8 -48.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.049 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -60.98 -42.15 97.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.602 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 40.3 m-85 -80.54 -30.44 37.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -84.02 17.88 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 p -101.38 -175.48 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -76.13 -50.74 13.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.84 -48.84 30.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.08 -52.33 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -50.01 -60.9 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.1 mt -38.11 -38.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 121' ' ' ARG . 20.4 t80 -67.18 -63.27 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.634 ' HG2' HG22 ' A' ' 46' ' ' THR . 10.9 mtm105 -36.62 -61.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.58 -53.66 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -46.59 -51.05 16.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 124' ' ' ILE . 24.2 mm -50.62 -50.24 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -51.39 -39.28 56.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.8 m -71.25 -57.77 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 17.3 mt -55.34 -32.49 62.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.426 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -72.18 -20.84 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.1 m -78.05 -33.09 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.551 ' CG ' ' N ' ' A' ' 131' ' ' ALA . 5.4 pt20 -60.55 -50.73 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 130' ' ' GLN . . . -70.14 -33.17 71.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.0 m -74.18 -68.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.549 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.0 Cg_endo -69.73 119.93 6.8 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -75.08 167.84 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -39.01 -67.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -37.79 -67.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -41.84 -53.29 3.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.443 HG23 HD11 ' A' ' 83' ' ' LEU . 68.0 mt -52.43 -39.12 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.46 -37.07 77.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -61.15 -37.44 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.658 HG23 ' NE2' ' A' ' 87' ' ' GLN . 53.9 mt -77.17 -27.54 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' CZ ' HG22 ' A' ' 72' ' ' THR . 8.6 m-85 -84.34 -28.46 27.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -61.94 -36.58 81.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -68.05 -35.27 77.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' A' ' 87' ' ' GLN . 20.7 mt -76.28 -57.92 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -42.5 -50.68 5.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.4 t -38.79 -49.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -55.11 132.1 68.51 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.597 0.713 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 3.04 3.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.583 2.189 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.419 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 69.1 p -112.71 -11.52 13.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -105.6 -25.64 12.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -76.59 5.81 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.8 m -134.4 130.27 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.0 t -43.5 104.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -45.95 -22.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -74.08 -71.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.3 p -96.64 -45.91 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.84 8.29 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.16 127.21 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -68.77 146.01 53.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 37.0 m-80 62.11 51.78 1.93 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.683 0.754 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.5 Cg_endo -69.74 80.35 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.265 . . . . 0.0 112.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 p -41.58 -68.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.424 ' NE1' ' HA ' ' A' ' 53' ' ' ILE . 74.2 m95 -48.5 148.9 1.81 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.48 124.58 6.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -85.12 115.93 23.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.568 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -67.62 -50.04 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 13.3 m -43.66 -57.46 3.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CZ ' ' HD3' ' A' ' 121' ' ' ARG . 63.7 m-85 -90.48 1.52 56.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.35 51.7 11.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 m -132.41 164.71 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -99.83 145.3 27.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.8 mt -141.23 168.61 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.2 p -111.7 149.39 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.4 tp -35.1 -32.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' CYS . 25.7 t0 -69.48 -71.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLY . 84.2 m -56.21 -53.09 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' CYS . 57.1 p -33.24 -35.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -59.38 -48.86 83.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.424 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.687 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.2 m -51.08 -44.53 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.887 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.827 ' HB3' HD11 ' A' ' 69' ' ' ILE . 11.9 m-70 -64.3 -44.03 92.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -54.95 -40.23 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.9 m -61.72 -49.32 76.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 59' ' ' HIS . 59.0 mt -43.85 -60.74 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.451 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 148.82 131.37 2.0 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.534 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.8 m -46.85 -24.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.451 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 37.3 p-80 -75.79 -38.74 57.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.37 -40.86 57.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -157.49 108.57 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -84.62 125.4 32.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.827 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.6 mm -101.32 133.73 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -147.96 125.21 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.8 m -65.04 171.6 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.484 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 69.0 p -112.32 -37.04 5.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -81.82 -45.0 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.01 -68.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.43 114.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' HD11 ' A' ' 16' ' ' ILE . 25.3 p -116.85 -17.75 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -84.65 47.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.568 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.5 m95 -70.81 -175.13 1.03 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' TRP . 3.0 m -130.03 125.26 34.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.549 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 10.8 m95 -34.19 -44.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -64.2 -51.12 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.42 ' HB3' HG21 ' A' ' 45' ' ' ILE . 93.1 mt-30 -60.3 -25.53 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 16' ' ' ILE . 1.8 mm? -65.38 -70.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 87' ' ' GLN . 16.1 mmt-85 -43.59 -44.82 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.8 m -40.13 -37.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.1 mmm -70.05 -38.57 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.658 ' NE2' HG23 ' A' ' 19' ' ' ILE . 21.8 mt-30 -76.1 -64.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 128' ' ' ALA . 27.3 m -39.47 -27.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' GLN . . . -112.44 -117.0 3.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.55 161.29 12.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 28' ' ' THR . 5.4 m-20 -46.7 -68.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -41.35 -56.7 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.7 OUTLIER -33.02 -59.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.534 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -72.76 -41.83 64.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t -40.41 -36.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' PHE . 8.2 m -99.76 -51.42 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.8 t80 -34.09 -57.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -48.32 -53.74 16.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.04 -48.36 82.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.687 HG21 ' HB3' ' A' ' 58' ' ' SER . 64.2 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.734 0.302 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.82 -8.58 58.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.8 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.05 -61.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -44.74 -38.25 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.456 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 60.0 m-85 -85.94 -22.81 27.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -87.7 21.57 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.0 p -113.79 165.45 12.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -42.33 95.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.08 -20.5 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.18 -44.33 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.545 ' CG ' ' N ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -62.37 -51.49 67.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 62.6 mt -45.82 -31.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 94' ' ' ALA . 18.2 t80 -74.66 -56.2 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.471 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 25.0 mtm180 -45.73 -61.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -46.46 -46.88 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -53.58 -52.77 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 mm -50.96 -35.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -68.93 -45.31 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.1 m -63.34 -47.75 80.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 130' ' ' GLN . 50.7 mt -66.35 -55.5 15.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.44 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -36.38 -36.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -64.92 -44.06 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -52.6 -37.34 58.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -86.0 -39.24 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 54.0 m -63.01 -65.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.653 0.74 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.75 140.35 42.49 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.686 2.258 . . . . 0.0 112.371 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.8 m -87.15 170.47 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -42.98 -62.44 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.432 ' H ' ' CD ' ' A' ' 14' ' ' GLN . 11.6 mp0 -45.61 -58.94 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -46.87 -53.49 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.039 HG23 HD21 ' A' ' 83' ' ' LEU . 46.1 mt -55.61 -49.08 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -45.03 -38.11 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' PHE . 21.6 m -60.52 -70.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 18' ' ' THR . 2.0 mp -32.45 -35.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.761 ' CZ ' HG22 ' A' ' 72' ' ' THR . 23.3 m-85 -80.95 -57.22 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' PHE . 7.2 pttp -36.71 -35.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -66.75 -43.91 82.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.828 HD21 ' HA ' ' A' ' 87' ' ' GLN . 23.1 mt -82.46 -54.02 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HG3' ' C ' ' A' ' 20' ' ' PHE . 17.3 mtm180 -38.83 -50.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.7 t -46.77 -45.29 19.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.656 HG12 ' H ' ' A' ' 28' ' ' THR . 17.5 t -50.41 127.86 23.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.716 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 1.56 4.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.656 ' H ' HG12 ' A' ' 26' ' ' VAL . 15.4 p -112.18 -9.3 13.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.412 ' HA ' ' CG ' ' A' ' 91' ' ' ASN . 97.4 m-20 -109.16 -22.76 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 17.2 ptpt -79.07 12.47 2.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 31' ' ' VAL . 28.0 m -132.47 120.91 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 34' ' ' ASP . 9.4 t -39.68 103.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.613 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -41.93 -27.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 2.0 t70 -68.9 -72.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.84 -47.86 5.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.46 11.91 3.58 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.382 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.19 123.51 9.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -69.03 135.46 50.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 6.1 m120 71.04 50.84 0.33 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.8 80.12 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -41.76 -51.48 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.8 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -63.42 146.57 53.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.72 130.91 14.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.061 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -95.66 116.93 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.79 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.552 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 9.5 mt -71.35 -41.82 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.517 HG22 ' CD1' ' A' ' 47' ' ' TYR . 43.9 m -44.8 -54.63 6.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.797 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 m-85 -103.63 22.63 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 32.0 51.37 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.529 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 47' ' ' TYR . 12.7 m -131.41 166.4 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.81 151.52 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 29.1 mt -146.24 169.72 18.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.5 p -114.77 147.28 39.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.5 tp -32.3 -40.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' CYS . 76.1 m-20 -63.11 -66.4 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 56' ' ' SER . 74.0 m -60.9 -56.94 15.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.8 p -32.54 -38.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.95 -48.84 70.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.483 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.0 m -51.19 -47.14 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.79 ' HB3' HD11 ' A' ' 69' ' ' ILE . 14.1 m-70 -60.62 -46.04 91.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -54.81 -37.45 66.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -61.35 -48.78 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.545 HD13 HD23 ' A' ' 66' ' ' LEU . 21.4 mt -47.46 -58.45 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 146.65 123.0 1.44 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.46 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' GLY . 31.7 m -36.76 -32.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.103 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' GLY . 22.7 p80 -66.54 -46.64 75.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -67.36 -48.25 68.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.99 105.29 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -78.4 132.84 37.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.79 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.1 mm -113.78 140.26 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -148.66 143.21 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -83.68 155.83 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.761 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 40.4 p -103.69 -35.3 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.081 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.7 -42.11 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mp -87.05 -65.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.28 114.67 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -124.1 36.08 4.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -122.22 33.27 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.552 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 13.8 m95 -66.62 151.49 47.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' TRP . 16.4 m -101.4 139.13 37.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.557 ' CZ2' ' HB3' ' A' ' 11' ' ' PRO . 45.6 m95 -36.31 -38.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -67.65 -58.52 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.23 -25.7 61.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.039 HD21 HG23 ' A' ' 16' ' ' ILE . 21.1 mt -69.06 -65.88 0.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.458 ' O ' HG22 ' A' ' 88' ' ' VAL . 32.7 mmt-85 -52.92 -35.13 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.8 m -49.5 -32.3 11.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 87.8 mmm -72.03 -40.93 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.788 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.828 ' HA ' HD21 ' A' ' 23' ' ' LEU . 21.6 mt-30 -71.35 -61.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.477 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 28.2 m -46.17 -20.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 87' ' ' GLN . . . -110.59 -102.75 2.71 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.92 154.4 30.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.486 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -45.89 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -32.8 -59.66 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -32.86 -61.66 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.755 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' SER . . . -71.46 -45.57 62.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 94' ' ' ALA . 46.5 t -34.73 -35.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' PHE . 13.3 m -105.52 -49.38 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.9 t80 -34.12 -38.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.05 -53.35 31.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 96' ' ' SER . 3.4 t-160 -67.78 -53.31 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' CD ' ' HA ' ' A' ' 97' ' ' PHE . 7.9 pt20 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.483 HG21 ' HB3' ' A' ' 58' ' ' SER . 94.9 m . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.843 0.354 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 109' ' ' ASN . 9.7 t-20 -75.25 -12.33 60.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.6 -59.44 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -43.85 -44.09 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.546 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 35.5 m-85 -78.06 -30.36 49.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -83.86 22.45 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 p -104.59 177.08 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -70.13 -53.81 15.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.6 -39.13 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.86 -52.51 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.66 -61.05 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.6 mt -37.25 -42.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.431 ' O ' ' C ' ' A' ' 121' ' ' ARG . 59.4 t80 -61.45 -65.5 0.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.471 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 29.5 mtm180 -35.02 -64.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -45.24 -53.31 8.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -46.4 -48.32 18.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 40.3 mm -52.71 -40.63 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -63.56 -39.44 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 t -68.54 -57.35 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 17.2 mt -58.44 -43.54 88.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.15 -44.72 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 54.5 p -54.16 -42.26 69.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -52.93 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.94 39.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 86.9 m -62.14 -75.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.523 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.82 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.6 m -72.5 166.75 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -42.53 -60.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -41.26 -63.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.72 -55.04 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.538 HG23 HD11 ' A' ' 83' ' ' LEU . 66.9 mt -50.67 -33.58 11.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.29 -38.11 63.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -64.97 -31.66 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.799 ' O ' HD13 ' A' ' 23' ' ' LEU . 15.7 mt -80.44 -29.53 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.84 ' CZ ' HG22 ' A' ' 72' ' ' THR . 6.9 m-85 -81.9 -37.77 26.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -52.11 -35.23 47.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -73.79 -27.28 61.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.849 HD11 ' HG2' ' A' ' 87' ' ' GLN . 10.8 mp -83.2 -55.72 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.478 ' NE ' ' HB3' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -45.9 -49.73 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -39.46 -49.29 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 28' ' ' THR . 6.1 t -52.16 130.05 40.95 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.664 0.745 . . . . 0.0 111.181 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.86 2.52 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.478 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 72.1 p -112.67 -17.38 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -100.28 -23.71 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -78.03 7.12 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 6.2 m -137.35 125.95 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.1 t -42.84 112.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -51.2 -25.57 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -71.69 -71.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.8 p -97.28 -46.63 6.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.86 10.97 5.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.63 126.87 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -68.49 144.27 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.489 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.4 m-20 62.19 51.28 1.78 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.8 Cg_endo -69.68 80.26 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.409 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 p -42.76 -56.83 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 76.2 m95 -59.2 145.23 43.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB1' ' CE ' ' A' ' 86' ' ' MET . . . -151.86 130.82 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 t -90.5 115.85 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.808 HD13 ' CD ' ' A' ' 82' ' ' GLN . 16.5 mt -70.07 -49.3 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 99.3 m -41.45 -50.72 3.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 49' ' ' VAL . 66.4 m-85 -100.89 4.34 42.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.09 45.13 20.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 47' ' ' TYR . 15.5 m -123.59 165.82 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.327 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -100.4 142.92 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.1 mt -139.53 172.93 12.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' ILE . 27.7 p -118.84 149.14 42.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 54' ' ' ASP . 2.2 tp -31.37 -46.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.502 ' N ' HG23 ' A' ' 53' ' ' ILE . 1.7 m-20 -58.91 -68.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.6 m -59.64 -58.32 9.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' CYS . 65.7 p -31.78 -37.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -56.61 -49.65 68.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' CYS . 2.0 m -48.27 -50.97 27.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.806 ' HB3' HD11 ' A' ' 69' ' ' ILE . 21.3 m-70 -57.39 -49.27 76.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.816 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 12.7 mtp-105 -52.68 -36.03 56.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -64.65 -47.88 76.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.657 HD13 HD23 ' A' ' 66' ' ' LEU . 16.7 mt -46.92 -60.77 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' HIS . . . 147.16 127.02 1.74 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.3 m -39.33 -27.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' GLY . 32.9 p80 -68.7 -44.2 74.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.657 HD23 HD13 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -72.19 -49.55 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -152.54 117.37 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -88.44 137.95 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.806 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.1 mm -117.39 135.81 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.106 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -147.08 141.46 26.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -82.91 144.43 30.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.84 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 66.6 p -93.26 -39.95 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.73 -45.48 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 mt -78.79 -67.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -71.65 121.74 19.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 m -122.76 31.77 5.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -121.59 45.62 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.565 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 10.3 m95 -73.81 -177.85 2.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' TRP . 1.8 m -123.45 131.18 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.523 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 15.1 m95 -33.75 -49.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -62.72 -47.11 85.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.808 ' CD ' HD13 ' A' ' 45' ' ' ILE . 14.7 mt-30 -62.47 -26.2 68.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.538 HD11 HG23 ' A' ' 16' ' ' ILE . 3.8 mm? -65.83 -60.78 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.707 HH11 ' HB1' ' A' ' 131' ' ' ALA . 8.9 mmt85 -55.63 -38.99 70.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.421 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.2 m -40.73 -45.2 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.492 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 71.5 mmm -64.04 -34.44 78.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.849 ' HG2' HD11 ' A' ' 23' ' ' LEU . 78.3 mt-30 -72.85 -42.71 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 9.7 m -81.34 19.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.34 -101.1 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.23 149.39 15.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.412 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 28' ' ' THR . 3.4 m-20 -52.76 -67.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -33.92 -64.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -30.35 -64.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.47 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 t -39.12 -34.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' PHE . 20.3 m -103.99 -50.12 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.2 t80 -33.53 -53.15 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.48 ' CZ ' ' HE3' ' A' ' 111' ' ' LYS . 24.7 m-85 -49.99 -54.5 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -63.28 -49.97 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.498 HG23 ' CE2' ' A' ' 112' ' ' TYR . 86.7 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.85 0.357 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 19.4 t-20 -78.14 -13.42 59.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.22 -58.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 98' ' ' PHE . 37.3 tttp -41.91 -44.03 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.632 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 17.0 m-85 -78.93 -30.78 44.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.9 m-80 -84.74 17.93 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.0 p -100.44 166.18 11.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -63.92 -47.6 79.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.72 -36.19 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.53 -51.04 55.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' LEU . 23.9 mt-30 -52.7 -61.21 2.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 118' ' ' GLN . 76.5 mt -34.35 -43.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.738 ' CE1' HD11 ' A' ' 124' ' ' ILE . 19.7 t80 -60.56 -64.77 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.482 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.0 mtm105 -37.65 -63.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -45.67 -53.31 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -50.35 -42.22 52.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.738 HD11 ' CE1' ' A' ' 120' ' ' TYR . 47.3 mm -56.47 -33.71 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -70.2 -52.42 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.9 t -54.23 -40.8 68.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.474 HD23 ' OE1' ' A' ' 130' ' ' GLN . 52.7 mt -78.2 -54.46 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.87 -42.52 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 p -58.12 -40.32 80.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.474 ' OE1' HD23 ' A' ' 127' ' ' LEU . 38.7 mt-30 -53.71 -71.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.707 ' HB1' HH11 ' A' ' 84' ' ' ARG . . . -46.6 -47.15 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 84' ' ' ARG . 96.7 m -60.72 -72.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.81 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.507 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.75 130.92 20.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -70.73 170.41 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -54.07 -59.53 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -41.14 -58.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -49.48 -53.73 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.851 HG23 HD21 ' A' ' 83' ' ' LEU . 58.1 mt -53.99 -35.01 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.26 -30.82 67.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 8.2 m -68.36 -49.35 60.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 83' ' ' LEU . 83.9 mt -61.01 -28.58 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -83.41 -49.26 9.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.2 pttp -48.79 -38.09 21.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -61.74 -35.59 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.591 HD21 ' HA ' ' A' ' 87' ' ' GLN . 80.0 mt -87.71 -60.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' LEU . 18.4 mtp180 -35.23 -47.04 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -41.44 -47.86 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.499 HG12 ' H ' ' A' ' 28' ' ' THR . 15.5 t -53.72 131.66 56.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 111.187 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 7.48 1.0 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.499 ' H ' HG12 ' A' ' 26' ' ' VAL . 16.5 p -117.18 -12.06 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -105.45 -23.13 12.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -80.22 9.15 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 16.5 m -135.08 118.55 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' GLY . 15.8 t -34.56 107.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.15 -26.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.2 -71.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.6 p -98.52 -44.99 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 121.94 11.44 5.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.22 122.36 8.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -64.88 141.74 58.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.542 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 54.2 m-20 64.68 48.35 0.72 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.4 Cg_endo -69.65 81.32 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.433 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 p -43.51 -68.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.469 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 71.6 m95 -45.6 145.41 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.32 130.26 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.3 t -92.01 114.51 27.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.556 HD13 ' CD ' ' A' ' 82' ' ' GLN . 17.1 mt -66.66 -46.25 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.467 HG21 ' HD2' ' A' ' 121' ' ' ARG . 89.5 m -42.12 -61.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.65 ' O ' HG13 ' A' ' 49' ' ' VAL . 51.9 m-85 -94.68 15.64 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.69 54.27 1.09 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 47' ' ' TYR . 5.9 m -131.28 165.19 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 111.07 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -98.95 143.75 28.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -139.14 168.83 18.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.3 p -114.37 149.19 36.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.469 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 5.3 tp -32.11 -43.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' N ' HG23 ' A' ' 53' ' ' ILE . 10.9 t70 -61.43 -71.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' GLY . 77.8 m -55.84 -56.46 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 55' ' ' CYS . 60.6 p -33.6 -35.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.79 -48.24 83.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.575 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.1 m -52.21 -44.97 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.805 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.873 ' HB3' HD11 ' A' ' 69' ' ' ILE . 11.1 m-70 -61.42 -47.59 85.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -48.99 -38.06 22.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -64.71 -47.48 78.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.751 ' HB3' HD13 ' A' ' 66' ' ' LEU . 76.1 mt -44.87 -47.25 11.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 129.1 133.55 3.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.551 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.5 m -46.21 -25.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.4 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 34.2 p-80 -77.03 -35.31 57.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.7 tt -79.63 -39.21 32.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -162.26 105.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -79.94 127.79 32.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.873 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.8 mm -104.14 147.24 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -163.07 123.79 2.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.4 m -60.55 -176.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.1 p -118.59 -32.25 4.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.06 -53.6 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.28 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.77 117.7 5.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.0 p -124.37 -20.04 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -81.32 40.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.465 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 6.9 m95 -65.01 176.03 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' TRP . 15.2 m -118.37 124.72 48.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.507 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 74.4 m95 -33.38 -53.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.66 -49.76 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.556 ' CD ' HD13 ' A' ' 45' ' ' ILE . 61.5 mt-30 -54.12 -45.22 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.851 HD21 HG23 ' A' ' 16' ' ' ILE . 8.3 mt -53.57 -59.4 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.882 HH11 ' HB1' ' A' ' 131' ' ' ALA . 11.5 mmt85 -45.98 -48.99 16.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.524 ' HA ' HG22 ' A' ' 88' ' ' VAL . 80.4 m -40.42 -32.08 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 86.0 mmm -72.32 -42.75 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.591 ' HA ' HD21 ' A' ' 23' ' ' LEU . 26.0 mt-30 -72.27 -38.16 68.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 85' ' ' CYS . 14.3 m -83.12 23.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.1 -92.45 0.24 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.36 164.27 38.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.524 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.14 -64.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -43.91 -49.8 8.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.055 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' ALA . 1.8 m -34.36 -54.23 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -70.48 -51.12 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.7 t -35.76 -36.94 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' PHE . 65.7 m -97.74 -54.89 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' SER . 43.1 t80 -34.53 -49.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 117' ' ' ALA . 27.7 m-85 -61.16 -59.93 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -50.42 -56.8 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.896 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.575 HG21 ' HB3' ' A' ' 58' ' ' SER . 87.6 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.743 0.306 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -77.02 -7.71 56.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.59 -59.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 37.6 tttp -45.56 -39.79 7.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 46.9 m-85 -83.69 -27.91 28.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -87.49 21.03 2.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.5 p -106.81 175.67 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -67.61 -53.33 29.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.05 16.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.533 ' HA ' ' CZ ' ' A' ' 98' ' ' PHE . . . -62.63 -53.82 48.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 119' ' ' LEU . 12.0 mm100 -50.11 -63.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 118' ' ' GLN . 43.2 mt -35.94 -38.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.593 ' CE1' HD11 ' A' ' 124' ' ' ILE . 24.5 t80 -61.8 -62.64 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.467 ' HD2' HG21 ' A' ' 46' ' ' THR . 12.6 mtm105 -38.67 -65.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -47.42 -53.86 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.22 -49.83 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 120' ' ' TYR . 22.0 mm -55.92 -40.98 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -57.13 -40.15 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 m -68.19 -68.41 0.39 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.457 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 7.9 mt -47.25 -41.21 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.475 ' N ' HG21 ' A' ' 88' ' ' VAL . . . -58.88 -38.47 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 9.8 t -63.72 -33.12 74.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.39 -59.86 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.882 ' HB1' HH11 ' A' ' 84' ' ' ARG . . . -51.06 -53.24 35.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 133' ' ' ARG . 6.9 m -61.48 -59.55 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 132' ' ' THR . 4.3 tpt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 p30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.651 0.739 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.3 Cg_endo -69.72 150.48 68.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.405 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.8 m -101.35 165.62 11.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -58.04 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.7 -56.21 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -55.0 -48.41 73.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.848 HG23 HD21 ' A' ' 83' ' ' LEU . 64.7 mt -56.62 -46.62 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.1 mt -50.63 -35.54 30.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 20' ' ' PHE . 98.1 m -62.4 -68.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.203 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.572 HD13 HD13 ' A' ' 83' ' ' LEU . 2.2 mp -36.84 -33.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.696 ' CZ ' HG22 ' A' ' 72' ' ' THR . 16.4 m-85 -82.65 -53.38 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -44.6 -24.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -77.26 -43.56 32.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.925 HD21 ' HA ' ' A' ' 87' ' ' GLN . 31.9 mt -81.69 -53.8 5.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' SER . 61.5 mtm180 -45.35 -49.78 12.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.789 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ARG . 5.2 t -36.63 -51.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 26' ' ' VAL . 4.9 t -51.58 132.51 35.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 7.65 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.68 2.254 . . . . 0.0 112.38 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -115.12 -13.57 11.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 92.1 m-20 -106.81 -20.74 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -81.78 12.43 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' CYS . 4.7 m -134.03 117.16 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' VAL . 18.3 t -34.0 98.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -39.88 -27.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' CYS . 3.4 t0 -69.22 -71.48 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.53 -44.81 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 125.46 6.44 6.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.87 124.6 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.065 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -69.94 144.74 52.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.6 m-20 63.0 48.68 1.03 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.752 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.65 80.12 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.358 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 m -41.26 -64.05 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -47.96 138.99 8.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.38 126.03 17.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 t -93.26 110.82 22.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.573 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -65.2 -40.06 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 89.6 m -46.2 -60.28 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.863 ' O ' HG13 ' A' ' 49' ' ' VAL . 22.6 m-85 -95.51 17.19 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.34 47.84 0.82 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.863 HG13 ' O ' ' A' ' 47' ' ' TYR . 23.2 m -127.88 178.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 111.121 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.547 ' O ' HD23 ' A' ' 51' ' ' LEU . 61.1 m-85 -109.79 149.98 29.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 50' ' ' PHE . 24.1 mt -146.48 172.88 12.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' ILE . 22.8 p -117.89 150.13 39.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.7 tp -33.55 -39.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.04 -71.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 56' ' ' SER . 78.4 m -55.96 -56.46 20.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.482 ' C ' ' O ' ' A' ' 55' ' ' CYS . 60.7 p -31.08 -43.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.507 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -53.6 -48.9 59.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.507 ' HB3' HG21 ' A' ' 108' ' ' THR . 1.9 m -48.09 -43.15 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.747 ' HB3' HD11 ' A' ' 69' ' ' ILE . 16.7 m-70 -66.67 -45.15 79.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.507 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 41.4 mtm180 -50.19 -45.03 53.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 t -57.43 -47.11 82.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.699 ' HB3' HD13 ' A' ' 66' ' ' LEU . 76.2 mt -46.15 -47.89 17.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.417 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 133.4 129.77 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 m -43.42 -26.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.417 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 35.6 p-80 -75.86 -39.77 55.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.699 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.8 tt -73.29 -42.19 62.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 105.0 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -80.42 128.21 33.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.747 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.7 mm -108.63 147.91 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 78' ' ' TRP . 26.2 mtp180 -157.19 125.54 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -65.0 161.81 17.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.696 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 28.1 p -105.02 -33.59 8.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -83.56 -62.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.34 -68.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.22 118.88 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 m -130.41 34.78 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -123.82 38.26 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.573 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 15.1 m95 -73.13 142.5 47.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.14 149.79 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 9.8 m95 -52.15 -36.67 52.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.19 -47.16 52.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 90.4 mt-30 -61.72 -41.99 98.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.848 HD21 HG23 ' A' ' 16' ' ' ILE . 44.7 mt -53.73 -54.14 42.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 34.5 mmt-85 -55.3 -41.64 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 82' ' ' GLN . 81.1 m -45.1 -30.06 1.03 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.555 ' C ' HD11 ' A' ' 23' ' ' LEU . 82.8 mmm -76.0 -37.85 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.925 ' HA ' HD21 ' A' ' 23' ' ' LEU . 20.0 mt-30 -73.27 -54.81 7.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.474 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 27.9 m -56.34 -12.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.88 -129.17 4.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.71 166.96 11.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -62.63 -74.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -37.55 -50.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' ALA . 38.0 m -35.2 -52.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.89 -46.88 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -38.09 -41.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.9 t -90.74 -49.91 6.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -40.39 -50.45 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -55.25 -59.03 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 100' ' ' GLN . 2.9 t-160 -55.94 -59.71 4.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 99' ' ' HIS . 14.1 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.507 HG21 ' HB3' ' A' ' 58' ' ' SER . 98.4 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.751 0.31 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -71.76 -4.53 28.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.94 -53.6 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -51.45 -40.59 59.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.47 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 61.7 m-85 -83.73 -27.51 28.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -87.2 20.56 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.5 p -102.44 170.91 7.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.588 ' NE ' HD21 ' A' ' 119' ' ' LEU . 18.1 tpt180 -62.8 -56.26 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.16 -48.08 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.066 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.93 -50.28 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -58.38 -60.58 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.588 HD21 ' NE ' ' A' ' 115' ' ' ARG . 49.2 mt -38.8 -37.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -65.13 -60.9 2.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.49 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.6 mtm105 -39.5 -64.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -45.64 -51.84 11.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -50.85 -48.94 59.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.7 mm -50.95 -44.87 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -57.94 -45.73 86.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 m -57.72 -67.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.474 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 29.0 mt -46.85 -51.42 16.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.44 -43.66 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.7 m -53.94 -46.92 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -51.11 -57.49 8.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.409 ' HB1' ' HD2' ' A' ' 84' ' ' ARG . . . -64.59 -37.24 86.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 133' ' ' ARG . 86.6 m -62.71 -67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 132' ' ' THR . 27.6 ttt85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.05 3.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.658 2.238 . . . . 0.0 112.393 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -67.49 164.96 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -44.69 -63.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -39.71 -56.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' HD12 ' A' ' 19' ' ' ILE . 6.4 m-20 -50.8 -50.29 56.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.891 HG23 HD11 ' A' ' 83' ' ' LEU . 38.4 mt -59.77 -43.32 91.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.3 mt -50.68 -35.86 32.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' PHE . 96.3 m -64.54 -69.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.71 HG23 ' CG ' ' A' ' 87' ' ' GLN . 4.4 mp -32.99 -36.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.692 ' CZ ' HG22 ' A' ' 72' ' ' THR . 23.2 m-85 -82.53 -54.45 5.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -39.91 -29.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' PHE . 37.0 ttt180 -78.27 -46.5 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -73.97 -59.68 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 17.6 mtm105 -40.62 -48.35 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 t -43.79 -41.34 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG12 ' H ' ' A' ' 28' ' ' THR . 24.0 t -58.01 134.66 83.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.648 0.737 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.434 ' HD2' HG13 ' A' ' 26' ' ' VAL . 53.9 Cg_endo -69.78 10.35 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.494 ' H ' HG12 ' A' ' 26' ' ' VAL . 48.2 p -121.99 -12.15 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.455 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 97.7 m-20 -104.66 -25.83 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -75.3 5.77 5.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.578 HG12 ' HG3' ' A' ' 38' ' ' LYS . 18.2 m -133.43 128.67 55.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' GLY . 16.1 t -44.15 112.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -52.67 -28.51 21.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.83 -67.87 0.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.9 p -101.21 -49.15 4.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 129.4 9.14 3.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.5 121.83 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.578 ' HG3' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.28 141.12 54.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 47.1 t30 70.36 50.92 0.37 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.689 0.757 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.5 Cg_endo -69.77 81.33 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.386 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.6 p -44.48 -48.54 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 75.4 m95 -70.27 150.74 46.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.26 128.01 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -91.95 111.44 22.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.558 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 15.7 mt -64.14 -45.41 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -40.86 -59.67 1.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.582 ' O ' HG13 ' A' ' 49' ' ' VAL . 80.7 m-85 -96.01 14.13 24.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.54 48.18 2.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 47' ' ' TYR . 5.2 m -126.84 168.58 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 29' ' ' ASN . 44.4 m-85 -99.99 143.56 30.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 39.0 mt -138.61 165.62 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.0 p -111.73 149.53 31.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.48 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 3.2 tp -35.55 -31.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' CYS . 8.7 t70 -71.36 -70.75 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' SER . 84.7 m -54.82 -53.71 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' CYS . 69.6 p -33.21 -46.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.77 -47.83 30.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.808 ' HB3' HG21 ' A' ' 108' ' ' THR . 1.8 m -52.63 -45.11 66.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.833 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.89 ' HB3' HD11 ' A' ' 69' ' ' ILE . 17.7 m-70 -62.24 -48.24 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -50.74 -31.73 17.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t -69.69 -51.0 38.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.904 ' HB3' HD13 ' A' ' 66' ' ' LEU . 42.0 mt -45.05 -41.32 7.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 124.59 129.99 3.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -42.2 -29.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.497 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 41.4 p-80 -70.6 -39.18 73.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.904 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.7 tt -74.13 -43.46 57.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -157.11 105.06 2.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -76.57 132.29 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.89 HD11 ' HB3' ' A' ' 59' ' ' HIS . 4.9 mm -107.13 153.18 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 9.4 mtp85 -168.47 124.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.8 m -62.82 -176.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.692 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 20.7 p -119.66 -47.94 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.11 -49.65 16.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.34 -65.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.59 111.32 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p -118.83 -14.64 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -79.22 43.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.558 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 10.0 m95 -72.6 -174.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.624 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -129.71 148.49 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -52.81 -35.05 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -74.46 -41.67 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -67.99 -30.44 69.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.891 HD11 HG23 ' A' ' 16' ' ' ILE . 3.7 mm? -63.68 -61.72 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 12.5 mmt180 -54.76 -36.69 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 m -45.53 -47.22 14.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.4 mmm -63.08 -38.72 92.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.71 ' CG ' HG23 ' A' ' 19' ' ' ILE . 15.0 mt-30 -69.44 -60.47 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 35.8 m -48.98 -26.33 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.41 -127.65 5.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.32 175.66 14.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.403 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 2.0 m-20 -66.46 -61.64 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -45.2 -48.96 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.2 m -38.45 -55.02 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.482 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -69.87 -45.59 67.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' ALA . 26.9 t -37.11 -39.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 97' ' ' PHE . 49.7 m -100.38 -47.63 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 96' ' ' SER . 3.3 t80 -35.7 -54.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -57.21 -64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -45.07 -56.76 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.808 HG21 ' HB3' ' A' ' 58' ' ' SER . 92.1 m . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.769 0.319 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -90.09 -6.91 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.28 -39.64 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -65.46 -45.29 84.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.428 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 66.3 m-85 -79.95 -13.38 59.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -102.61 21.59 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 p -106.59 165.35 11.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -56.93 -55.01 40.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.53 -50.46 9.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.43 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -51.86 -60.53 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.7 mt -41.24 -39.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.444 ' CE1' HD11 ' A' ' 124' ' ' ILE . 23.6 t80 -61.36 -60.15 4.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 11.3 mtm105 -41.7 -65.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -47.28 -48.68 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 123' ' ' LYS . 18.0 ttpt -51.71 -60.38 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.444 HD11 ' CE1' ' A' ' 120' ' ' TYR . 33.4 mm -40.3 -48.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -54.58 -43.2 71.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.6 t -61.86 -59.34 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 7.2 mt -55.09 -54.49 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -39.27 -47.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.1 t -53.24 -49.84 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -44.99 -56.62 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 84' ' ' ARG . . . -68.36 -33.63 74.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 133' ' ' ARG . 89.6 m -66.92 -74.14 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' THR . 10.7 mtt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.602 0.715 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.74 122.53 9.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -66.26 162.89 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -44.78 -66.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HA ' HD12 ' A' ' 17' ' ' LEU . 4.2 pt20 -41.41 -48.53 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -54.8 -50.44 68.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.936 HG23 HD21 ' A' ' 83' ' ' LEU . 59.6 mt -59.26 -36.29 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 14' ' ' GLN . 96.5 mt -56.04 -38.41 70.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' PHE . 74.7 m -64.22 -67.66 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' THR . 1.7 mp -33.07 -36.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.686 ' CZ ' HG22 ' A' ' 72' ' ' THR . 35.2 m-85 -85.3 -60.61 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' PHE . 8.2 ptmt -35.54 -33.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' PHE . 40.7 ttt-85 -67.67 -46.71 71.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.724 HD21 ' HA ' ' A' ' 87' ' ' GLN . 44.9 mt -76.16 -41.18 50.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -48.86 -49.15 40.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.9 t -42.3 -44.64 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.498 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 5.4 t -54.85 136.82 65.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.552 0.691 . . . . 0.0 111.17 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.498 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.0 Cg_endo -69.7 -34.09 15.47 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.1 p -81.32 -9.14 59.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' HA ' ' CG ' ' A' ' 91' ' ' ASN . 17.3 m-20 -103.2 -29.76 11.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 14.4 ptpt -79.56 13.81 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.2 m -134.02 121.54 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 15.1 t -40.63 102.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.641 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -41.86 -26.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 2.2 t70 -71.03 -72.35 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.4 p -97.04 -47.27 5.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.95 10.62 4.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.7 122.21 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -65.46 146.6 54.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.1 m-20 60.78 51.75 2.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.68 80.13 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 p -41.58 -60.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -54.42 143.86 22.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -146.44 126.08 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -93.3 110.37 21.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.591 HD13 ' CD ' ' A' ' 82' ' ' GLN . 12.7 mt -63.68 -38.08 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 3.2 m -40.72 -64.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.585 ' O ' HG13 ' A' ' 49' ' ' VAL . 23.4 m-85 -98.85 15.37 25.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 43.88 44.52 7.2 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 47' ' ' TYR . 16.1 m -122.22 164.41 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -98.45 147.67 24.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 16.7 mt -143.35 171.67 13.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' ILE . 25.9 p -116.34 147.42 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.6 tp -33.55 -43.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 53' ' ' ILE . 1.4 m-20 -59.06 -59.38 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 56' ' ' SER . 95.8 m -68.76 -59.05 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.1 p -32.21 -39.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.53 -49.49 60.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.452 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.444 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.1 m -52.34 -45.31 65.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.379 . . . . 0.0 110.802 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.802 ' HB3' HD11 ' A' ' 69' ' ' ILE . 14.4 m-70 -60.31 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -54.74 -33.18 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.7 t -65.06 -47.68 76.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.82 ' HB3' HD13 ' A' ' 66' ' ' LEU . 36.9 mt -48.08 -52.24 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 138.75 129.62 2.69 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.546 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 65' ' ' HIS . 16.1 m -36.27 -41.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.443 ' N ' HG23 ' A' ' 64' ' ' VAL . 16.5 p-80 -63.12 -42.78 99.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.4 mt -68.14 -43.37 78.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.64 105.27 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.413 ' CE2' ' HD3' ' A' ' 70' ' ' ARG . 8.2 t80 -77.82 121.54 24.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.802 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.9 mm -107.56 141.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.6 ' HB2' ' CZ2' ' A' ' 78' ' ' TRP . 7.2 mmm180 -150.98 149.17 29.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 m -86.72 146.4 26.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.686 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 78.6 p -92.32 -30.51 15.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.157 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -93.69 -55.36 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.8 -70.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.13 120.57 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -122.66 33.1 5.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.432 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 0.9 OUTLIER -120.45 36.28 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.6 ' CZ2' ' HB2' ' A' ' 70' ' ' ARG . 11.7 m95 -70.83 145.72 50.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 80' ' ' TRP . 51.4 p -93.47 137.09 33.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.5 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 91.0 m95 -33.23 -39.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 79' ' ' SER . 22.5 t80 -66.91 -63.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.591 ' CD ' HD13 ' A' ' 45' ' ' ILE . 27.0 mt-30 -47.87 -34.95 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.936 HD21 HG23 ' A' ' 16' ' ' ILE . 15.4 mt -62.84 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 58.3 mmt-85 -54.74 -32.97 60.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.0 m -50.88 -24.82 3.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 71.4 mmm -79.77 -43.88 21.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.724 ' HA ' HD21 ' A' ' 23' ' ' LEU . 20.2 mt-30 -67.89 -58.3 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.0 m -48.5 -19.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.33 -114.83 4.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.12 155.95 10.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.415 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.422 ' CG ' ' HA ' ' A' ' 29' ' ' ASN . 1.4 m-20 -56.1 -64.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.26 -47.54 46.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -39.38 -47.94 1.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.59 -49.42 14.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.3 t -37.98 -41.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 97' ' ' PHE . 16.3 m -90.19 -56.75 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 96' ' ' SER . 4.6 t80 -34.17 -58.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -49.69 -53.23 25.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -57.31 -53.87 53.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 58' ' ' SER . 97.0 m . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.838 0.351 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -79.95 -7.85 59.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.06 -51.73 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -51.71 -43.6 62.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.457 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 52.7 m-85 -80.76 -27.55 36.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -87.29 22.56 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.6 p -113.59 164.32 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.451 ' HD2' ' CD ' ' A' ' 118' ' ' GLN . 2.6 tpt180 -56.28 -55.42 33.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -41.2 -28.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.2 -43.78 20.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.498 ' CG ' ' N ' ' A' ' 119' ' ' LEU . 3.9 pt20 -62.69 -48.01 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.498 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 84.8 mt -48.77 -30.27 5.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -77.84 -50.81 11.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.48 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 26.5 mtm180 -54.08 -60.64 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -46.12 -42.14 13.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -62.21 -41.57 98.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.85 -37.94 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -67.19 -33.78 76.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 m -73.23 -44.07 60.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 130' ' ' GLN . 25.4 mt -69.36 -60.89 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -33.91 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 127' ' ' LEU . 9.1 t -61.26 -47.45 85.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 127' ' ' LEU . 6.3 pt20 -50.27 -44.54 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.451 ' N ' ' CG ' ' A' ' 130' ' ' GLN . . . -77.12 -37.39 54.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.2 m -69.55 -68.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.673 0.749 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.438 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.72 108.63 2.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.651 2.234 . . . . 0.0 112.4 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.0 m -63.42 166.58 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -60.14 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.696 ' HA ' HD12 ' A' ' 17' ' ' LEU . 4.5 pt20 -44.63 -45.89 9.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -63.28 -51.58 65.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.701 HG23 HD11 ' A' ' 83' ' ' LEU . 67.6 mt -55.12 -44.57 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 14' ' ' GLN . 17.6 mt -53.87 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' ILE . 12.0 m -39.25 -72.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 83' ' ' LEU . 75.0 mt -33.84 -39.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.535 ' CZ ' HG22 ' A' ' 72' ' ' THR . 4.8 m-85 -75.68 -58.52 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 1.5 ptpp? -43.62 -39.3 3.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 3.8 tmm_? -59.59 -38.22 80.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.604 HD21 ' HA ' ' A' ' 87' ' ' GLN . 72.9 mt -82.89 -40.41 20.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' SER . 66.4 mtp85 -52.8 -46.46 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' ARG . 1.1 t -38.23 -50.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.437 ' H ' HG23 ' A' ' 26' ' ' VAL . 2.5 t -53.07 133.69 49.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HA ' ' HG2' ' A' ' 30' ' ' LYS . 53.6 Cg_endo -69.88 -14.73 36.09 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.43 ' H ' HG12 ' A' ' 26' ' ' VAL . 66.4 p -94.02 -14.2 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -101.48 -30.18 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.1 ptpt -75.3 8.19 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.408 HG12 ' HG2' ' A' ' 38' ' ' LYS . 16.4 m -132.47 121.66 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 13.5 t -38.34 109.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.532 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -49.02 -26.08 2.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.65 -71.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.2 p -98.24 -47.54 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.69 8.73 4.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.78 119.28 3.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.383 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG2' HG12 ' A' ' 31' ' ' VAL . 34.8 mttp -65.39 139.64 58.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 36.6 m-80 67.52 52.47 0.63 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.695 0.759 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.76 81.53 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.674 2.249 . . . . 0.0 112.29 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -46.83 -50.98 17.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.445 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 90.0 m95 -62.3 143.42 56.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.92 138.29 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 t -104.68 106.46 16.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.576 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.2 mt -57.46 -45.55 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -40.18 -62.73 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.578 ' O ' HG13 ' A' ' 49' ' ' VAL . 63.5 m-85 -95.46 16.47 16.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 37.63 40.27 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 47' ' ' TYR . 3.8 m -117.29 173.77 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -107.97 148.25 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 21.7 mt -142.93 173.27 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.6 p -114.51 153.13 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.445 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 3.1 tp -37.94 -32.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -71.82 -73.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 56' ' ' SER . 85.3 m -51.06 -55.26 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' CYS . 79.4 p -34.42 -45.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.511 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -51.28 -45.33 52.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.753 ' HB3' HG21 ' A' ' 108' ' ' THR . 1.8 m -52.45 -43.28 64.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.813 ' HB3' HD11 ' A' ' 69' ' ' ILE . 11.6 m-70 -64.85 -46.97 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.511 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 38.8 mtm180 -49.18 -38.93 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' LEU . 25.3 t -63.83 -57.6 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 59' ' ' HIS . 13.7 mt -37.02 -50.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 137.45 126.92 2.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.7 m -43.05 -24.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 111.185 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -72.67 -40.08 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -72.03 -50.75 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -149.19 105.78 3.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -76.85 132.98 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.813 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.1 mm -109.53 147.81 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' NH1' ' CG ' ' A' ' 75' ' ' ASP . 17.1 mtt-85 -165.76 130.59 2.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.4 m -68.33 179.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.535 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 51.5 p -116.2 -46.62 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.5 -48.76 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mt -72.88 -64.53 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.453 ' CG ' ' NH1' ' A' ' 70' ' ' ARG . 41.3 m-20 -63.82 121.63 14.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 4.7 p -124.94 -15.73 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -82.04 40.86 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.1 m95 -70.74 -174.69 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.593 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -129.14 148.17 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.874 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.438 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 23.5 m95 -52.07 -35.25 46.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -71.5 -46.83 58.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -67.93 -27.77 66.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.701 HD11 HG23 ' A' ' 16' ' ' ILE . 1.8 mm? -64.72 -62.32 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HE ' ' HB1' ' A' ' 131' ' ' ALA . 18.1 mmt-85 -60.01 -32.3 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 5.8 m -48.56 -30.44 5.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.5 mmm -75.57 -43.88 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.604 ' HA ' HD21 ' A' ' 23' ' ' LEU . 5.1 mt-30 -66.51 -58.82 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 33.5 m -48.43 -20.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.64 -124.27 5.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.7 152.19 8.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.518 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.56 -51.62 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -56.98 -52.63 64.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 92' ' ' ALA . 24.2 m -36.19 -55.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.803 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -69.15 -45.91 68.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 94' ' ' ALA . 5.3 t -36.61 -37.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' PHE . 7.2 m -99.07 -50.36 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' SER . 24.5 t80 -36.22 -49.87 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.483 ' CZ ' ' HE3' ' A' ' 111' ' ' LYS . 19.3 m-85 -53.06 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -50.42 -55.0 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.862 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.753 HG21 ' HB3' ' A' ' 58' ' ' SER . 32.1 m . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.752 0.31 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -78.34 -2.61 38.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.59 -50.53 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HE3' ' CZ ' ' A' ' 98' ' ' PHE . 30.1 tttp -54.75 -42.83 72.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.435 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 54.7 m-85 -82.28 -25.49 33.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -86.82 18.13 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.7 p -97.82 -178.2 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -79.65 -44.26 21.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.95 -39.81 72.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.42 -50.73 66.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -49.99 -55.91 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 63.7 mt -47.59 -35.06 8.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.803 ' CE2' ' HB2' ' A' ' 94' ' ' ALA . 12.0 t80 -62.01 -47.35 85.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 7.6 mtm105 -58.77 -58.56 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.815 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.525 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 11.3 pt-20 -52.31 -41.25 62.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 122' ' ' GLU . 18.0 ttmt -59.73 -45.4 92.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 35.2 mm -59.11 -33.85 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -63.35 -40.68 97.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 m -67.9 -54.18 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.592 HD23 ' OE1' ' A' ' 130' ' ' GLN . 19.8 mt -61.2 -53.45 56.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.434 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -43.42 -38.99 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.2 m -66.86 -33.76 76.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.592 ' OE1' HD23 ' A' ' 127' ' ' LEU . 39.5 mt-30 -57.36 -57.31 13.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.471 ' HB1' ' HE ' ' A' ' 84' ' ' ARG . . . -64.39 -40.65 96.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 84.8 m -59.42 -51.53 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.543 0.687 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.553 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.5 Cg_endo -69.79 117.3 5.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -61.71 163.15 7.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -43.57 -60.94 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -42.64 -55.03 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -50.39 -54.1 24.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.069 HG23 HD21 ' A' ' 83' ' ' LEU . 49.4 mt -54.22 -47.89 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.9 mt -46.68 -36.19 6.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' PHE . 52.0 m -64.42 -70.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.64 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.6 mp -32.37 -35.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' A' ' 72' ' ' THR . 24.1 m-85 -83.62 -54.39 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' A' ' 22' ' ' ARG . 1.6 ptmm? -38.98 -41.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 21' ' ' LYS . 13.7 ttt-85 -62.0 -44.12 97.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 87' ' ' GLN . 54.8 mt -76.63 -58.84 3.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' LEU . 50.6 mtp180 -36.43 -52.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -39.03 -45.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 27' ' ' PRO . 25.7 t -60.19 137.31 91.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 26' ' ' VAL . 54.0 Cg_endo -69.76 11.88 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.449 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 12.0 p -114.94 -25.99 7.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -93.4 -30.1 15.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 16.2 ptpt -71.18 0.55 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 m -132.3 133.93 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 34' ' ' ASP . 46.9 t -50.07 127.56 16.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.3 -33.08 72.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.529 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 4.0 m-20 -65.03 -72.14 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.6 p -96.85 -55.39 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 32' ' ' CYS . . . 130.36 19.65 1.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.553 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.78 128.34 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -66.21 142.52 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.442 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 48.8 t30 63.44 53.77 1.67 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.578 0.704 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.76 80.78 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.397 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 p -44.59 -65.81 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -51.85 149.0 5.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.69 122.29 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.4 t -85.82 120.1 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.797 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.543 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 15.8 mt -72.84 -39.45 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 13.5 m -47.19 -54.9 9.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.669 ' O ' HG13 ' A' ' 49' ' ' VAL . 52.4 m-85 -96.42 10.94 36.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 41.34 50.6 4.57 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 47' ' ' TYR . 17.2 m -135.92 160.14 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -91.36 143.54 26.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 84.2 mt -135.27 160.69 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.2 p -107.66 149.0 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.8 tp -32.96 -37.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' CYS . 31.4 t0 -66.58 -69.42 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 34' ' ' ASP . 77.2 m -55.87 -56.14 24.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' CYS . 79.1 p -32.74 -43.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.68 -49.87 45.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' CYS . 55.5 p -50.43 -43.25 54.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.827 ' HB3' HD11 ' A' ' 69' ' ' ILE . 22.8 m-70 -70.02 -44.4 69.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -47.76 -37.45 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.6 m -75.23 -44.77 44.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD13 HD22 ' A' ' 66' ' ' LEU . 86.7 mt -40.52 -48.96 2.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 129.25 126.09 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.481 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.6 m -38.5 -30.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.459 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 33.8 p-80 -72.46 -42.71 64.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.674 HD22 HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -71.08 -43.67 67.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -159.92 105.19 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -78.19 132.21 37.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.827 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.6 mm -108.18 148.67 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.213 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.538 ' HD3' HD11 ' A' ' 45' ' ' ILE . 16.3 mtp180 -162.47 127.85 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -70.07 166.74 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.595 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 64.4 p -107.02 -37.15 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -85.26 -58.48 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.68 -57.98 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -77.9 109.38 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 m -119.89 37.06 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -122.42 35.35 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.543 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 12.5 m95 -67.2 162.52 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 80' ' ' TRP . 3.2 m -107.99 133.06 52.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.553 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 75.0 m95 -30.66 -51.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -62.03 -55.98 23.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.528 ' HG2' HG21 ' A' ' 45' ' ' ILE . 76.8 mt-30 -53.51 -34.25 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.069 HD21 HG23 ' A' ' 16' ' ' ILE . 25.6 mt -63.49 -56.0 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.8 mmt-85 -59.11 -34.54 72.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 86.0 m -49.66 -34.71 19.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.8 mmm -73.05 -35.3 66.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.598 ' HA ' HD21 ' A' ' 23' ' ' LEU . 37.6 mt-30 -74.85 -60.45 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.487 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 27.6 m -44.63 -30.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -101.37 -106.13 2.89 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.15 175.04 18.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 28' ' ' THR . 3.8 m-20 -72.12 -54.28 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -55.84 -50.55 70.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' ALA . 4.4 m -35.75 -52.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.5 -54.49 10.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.3 t -35.1 -41.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 97' ' ' PHE . 8.1 t -89.24 -54.1 4.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 96' ' ' SER . 34.5 t80 -36.01 -58.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -42.16 -48.94 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' GLN . 7.2 t60 -61.38 -56.02 24.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.9 m . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.831 0.348 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 18.7 t-20 -75.12 -4.27 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.71 -58.66 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -43.2 -40.12 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.642 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 24.7 m-85 -86.89 -29.87 21.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.0 m-80 -85.11 20.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.9 p -101.93 172.61 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -65.84 -54.91 20.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.33 -46.71 25.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.84 72.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -55.57 -59.81 4.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.0 mt -37.72 -39.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.505 ' CE1' HD11 ' A' ' 124' ' ' ILE . 39.5 t80 -62.06 -65.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 10.2 mtm105 -35.84 -61.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -47.2 -51.63 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -52.19 -50.19 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 120' ' ' TYR . 33.4 mm -49.46 -35.54 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -70.74 -38.31 73.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -65.27 -53.1 49.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.487 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 15.3 mt -62.58 -53.55 53.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.43 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -43.1 -41.11 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 m -57.34 -39.73 76.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.783 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -57.64 -73.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.55 -39.89 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 60.7 m -67.18 -72.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.589 0.709 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.4 Cg_endo -69.71 128.92 16.77 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -77.24 172.45 13.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HE3' HD21 ' A' ' 17' ' ' LEU . 46.5 tptt -48.82 -63.04 1.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 17' ' ' LEU . 7.0 tm0? -40.81 -54.42 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -52.84 -52.8 55.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.763 HG23 HD21 ' A' ' 83' ' ' LEU . 69.0 mt -55.12 -43.23 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.482 HD21 ' HE3' ' A' ' 13' ' ' LYS . 82.1 mt -52.21 -36.85 53.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' ILE . 52.5 m -64.63 -68.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.465 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 2.4 mp -33.5 -36.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' CZ ' HG22 ' A' ' 72' ' ' THR . 26.3 m-85 -82.87 -58.98 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' PHE . 6.6 ptmt -35.59 -37.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -63.08 -44.77 94.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 87' ' ' GLN . 17.0 mt -77.67 -43.05 32.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' SER . 36.1 mtp180 -45.75 -53.93 8.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' ARG . 26.1 m -36.1 -50.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 28' ' ' THR . 3.4 t -52.05 131.27 40.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HA ' ' HG2' ' A' ' 30' ' ' LYS . 53.7 Cg_endo -69.73 -14.3 35.97 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.553 ' H ' HG12 ' A' ' 26' ' ' VAL . 32.6 p -96.58 -13.26 23.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -102.41 -27.8 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.7 ptpt -76.75 10.19 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 17.0 m -134.07 132.92 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 34' ' ' ASP . 6.4 t -48.81 101.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -39.32 -32.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 5.5 t0 -63.39 -71.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.7 p -98.6 -49.03 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.4 17.34 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.26 122.01 12.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -64.41 141.79 58.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.8 m-20 63.96 50.39 1.08 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.77 79.57 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 p -39.49 -59.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.479 ' CD1' ' HA ' ' A' ' 53' ' ' ILE . 79.6 m95 -56.3 142.95 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.11 126.8 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.045 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -90.97 114.45 26.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.567 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.9 mt -67.68 -46.52 82.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m -38.36 -63.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.537 ' O ' HG13 ' A' ' 49' ' ' VAL . 82.2 m-85 -92.53 10.04 31.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 44.11 46.59 8.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 47' ' ' TYR . 13.8 m -124.01 173.18 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -107.08 139.68 41.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.4 mt -135.95 167.62 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.4 p -106.33 171.07 7.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.4 tp -52.83 -40.3 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.411 ' N ' HG23 ' A' ' 53' ' ' ILE . 76.6 m-20 -67.16 -75.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' SER . 72.0 m -43.8 -57.5 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 92.2 p -33.43 -36.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.4 -48.35 81.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -50.71 -42.67 57.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.768 ' HB3' HD11 ' A' ' 69' ' ' ILE . 25.6 m-70 -67.81 -45.24 75.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -56.44 -30.9 63.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.1 t -68.97 -49.12 60.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 59' ' ' HIS . 11.9 mt -48.76 -51.68 27.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.53 128.92 2.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.562 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.3 m -44.39 -24.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -70.91 -40.54 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -73.79 -49.99 22.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -147.06 105.11 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -75.62 132.54 40.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.768 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.8 mm -109.91 135.99 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -148.08 136.35 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 t -79.84 166.2 21.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.52 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 51.6 p -109.12 -31.16 7.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -92.64 -56.27 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.72 -53.48 32.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.06 125.3 29.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.96 32.82 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -120.98 36.9 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.567 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 13.1 m95 -73.9 142.35 45.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.86 149.62 21.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.571 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 49.8 m95 -47.02 -39.28 12.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -67.31 -58.2 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -54.58 -31.75 57.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.763 HD21 HG23 ' A' ' 16' ' ' ILE . 22.9 mt -63.35 -62.05 1.94 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' HE ' ' HB1' ' A' ' 131' ' ' ALA . 31.5 mmt-85 -52.02 -40.22 60.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 95.8 m -42.83 -40.68 2.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 80.7 mmm -68.07 -38.26 82.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.796 ' HA ' HD21 ' A' ' 23' ' ' LEU . 14.9 mm-40 -68.86 -59.05 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 24.2 m -54.89 -13.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -110.65 -140.59 8.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 138.89 154.11 6.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 1.6 m-20 -52.97 -60.23 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -49.12 -55.93 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 92' ' ' ALA . 2.6 m -32.12 -59.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.811 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' SER . . . -68.37 -48.74 63.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 94' ' ' ALA . 13.2 t -36.71 -32.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' ALA . 99.7 p -105.03 -53.7 2.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.4 t80 -35.57 -37.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -67.81 -55.29 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -64.97 -55.33 19.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.432 ' CD ' ' HA ' ' A' ' 97' ' ' PHE . 2.9 pt20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.813 0.339 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -73.51 -5.13 38.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.36 -53.26 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -51.61 -42.77 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 53.3 m-85 -80.8 -24.96 38.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -89.17 20.8 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.9 p -104.04 165.14 11.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -60.67 -50.77 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.94 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.93 -52.78 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -54.24 -57.82 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.5 mt -40.59 -43.97 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.555 ' CE1' HD11 ' A' ' 124' ' ' ILE . 28.0 t80 -57.93 -60.65 3.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 120' ' ' TYR . 27.1 mtm180 -38.38 -62.78 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -47.42 -52.12 17.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -46.38 -52.37 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.555 HD11 ' CE1' ' A' ' 120' ' ' TYR . 26.9 mm -49.91 -40.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.6 -46.33 90.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.3 t -59.48 -65.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 26.3 mt -49.56 -55.07 14.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.39 -44.84 5.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.8 t -59.13 -32.82 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 127' ' ' LEU . 44.3 mm-40 -62.2 -43.61 98.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.444 ' HB1' ' HE ' ' A' ' 84' ' ' ARG . . . -79.18 -34.17 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 67.1 m -68.58 -49.7 57.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.636 0.731 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.449 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.4 Cg_endo -69.83 133.71 26.11 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.646 2.23 . . . . 0.0 112.28 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' LYS . 55.3 m -73.82 159.32 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' SER . 24.0 ttpt -37.0 -54.96 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -48.7 -58.43 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.12 -49.84 50.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.978 HG23 HD21 ' A' ' 83' ' ' LEU . 69.0 mt -57.26 -47.42 84.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.7 mt -48.96 -65.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' ILE . 9.0 m -38.9 -69.76 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.577 HD12 HD13 ' A' ' 83' ' ' LEU . 98.5 mt -33.79 -37.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.602 ' CZ ' HG22 ' A' ' 72' ' ' THR . 10.3 m-85 -80.48 -55.5 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -40.08 -35.18 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -65.62 -40.83 93.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 87' ' ' GLN . 22.0 mt -83.83 -52.83 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -48.13 -42.97 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -43.81 -46.1 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 13.7 t -51.91 135.27 37.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.694 0.759 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.1 Cg_endo -69.79 10.91 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.44 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 72.3 p -120.82 -17.22 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.5 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 97.3 m-20 -99.85 -21.67 15.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -81.86 12.06 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.4 m -138.83 119.56 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 36' ' ' GLY . 8.0 t -36.02 103.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.539 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -41.68 -32.64 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.29 -72.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.1 p -98.13 -48.81 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.97 12.25 3.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.52 115.07 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -60.1 142.39 54.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.457 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 9.5 m120 62.78 53.66 1.94 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.7 82.49 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.9 p -45.37 -36.25 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CD1' ' N ' ' A' ' 53' ' ' ILE . 91.3 m95 -81.91 147.88 29.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.39 128.46 10.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -91.72 112.77 24.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.588 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 9.6 mt -65.45 -44.83 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.453 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 1.8 m -41.63 -61.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.767 ' O ' HG13 ' A' ' 49' ' ' VAL . 78.6 m-85 -93.05 15.33 15.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.93 48.41 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.428 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 47' ' ' TYR . 21.6 m -129.78 166.05 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 65.7 m-85 -97.85 145.4 26.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 44.8 mt -139.39 170.55 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.0 p -116.44 150.99 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 42' ' ' TRP . 3.0 tp -35.09 -37.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.78 -72.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 56' ' ' SER . 79.1 m -52.4 -56.25 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 55' ' ' CYS . 38.2 p -30.58 -42.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.495 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -53.05 -49.84 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' CYS . 69.0 p -48.7 -38.95 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.488 ' HB3' HD11 ' A' ' 69' ' ' ILE . 24.0 m-70 -76.63 -41.13 47.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.495 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 31.0 mtm180 -49.64 -37.09 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 t -73.73 -43.11 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.747 HD13 HD22 ' A' ' 66' ' ' LEU . 96.5 mt -44.34 -36.49 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 115.69 130.36 4.69 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.425 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.9 m -41.68 -29.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.19 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.411 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 31.1 p-80 -74.11 -38.84 63.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.747 HD22 HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -74.1 -44.58 53.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -160.37 105.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -76.72 139.61 40.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.5 mm -113.23 140.21 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 78' ' ' TRP . 11.2 mmm180 -150.75 141.54 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 t -90.09 152.7 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.602 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 76.9 p -90.65 -43.27 10.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -87.65 -65.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.74 -36.51 47.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -108.2 122.05 46.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.8 m -129.49 32.75 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.02 26.35 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.588 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.8 m95 -59.71 159.09 9.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 80' ' ' TRP . 1.6 p -105.61 135.66 46.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.818 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.487 ' C ' ' O ' ' A' ' 79' ' ' SER . 65.7 m95 -31.31 -42.76 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' SER . 32.2 t80 -65.13 -67.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -49.83 -27.24 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.978 HD21 HG23 ' A' ' 16' ' ' ILE . 7.9 mt -66.51 -63.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 25.2 mmt-85 -53.31 -34.31 56.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.471 ' HA ' HG22 ' A' ' 88' ' ' VAL . 92.7 m -42.51 -48.98 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 77.4 mmm -58.84 -34.06 71.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.677 ' HA ' HD21 ' A' ' 23' ' ' LEU . 87.3 mt-30 -72.6 -43.15 63.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.481 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 10.5 m -81.36 21.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.15 -86.03 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.84 161.2 35.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 28' ' ' THR . 22.0 m-20 -75.36 -64.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -49.05 -51.36 31.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' ALA . 33.5 m -33.32 -54.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -66.78 -50.33 63.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' ALA . 7.6 t -36.1 -40.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' PHE . 17.8 m -92.8 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.2 t80 -36.17 -43.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' HE2' ' HB2' ' A' ' 117' ' ' ALA . 16.9 m-85 -62.92 -60.77 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -51.53 -51.92 51.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.557 HG23 ' CD2' ' A' ' 112' ' ' TYR . 99.5 m . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.851 0.358 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -72.73 -6.62 45.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.37 -59.7 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -46.59 -37.43 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.557 ' CD2' HG23 ' A' ' 108' ' ' THR . 45.4 m-85 -85.62 -30.5 23.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.609 HD22 HD11 ' A' ' 66' ' ' LEU . 10.4 m120 -86.63 25.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.1 p -110.74 166.51 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -57.77 -56.19 25.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.41 -44.15 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.507 ' HB1' ' OH ' ' A' ' 47' ' ' TYR . . . -66.07 -50.74 63.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 119' ' ' LEU . 31.1 mt-30 -53.2 -61.42 2.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 118' ' ' GLN . 40.7 mt -35.98 -38.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.819 ' CE1' HD11 ' A' ' 124' ' ' ILE . 11.7 t80 -62.17 -61.18 2.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.453 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 20.7 mtm180 -38.92 -66.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -46.25 -52.82 11.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -48.12 -55.84 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.819 HD11 ' CE1' ' A' ' 120' ' ' TYR . 39.2 mm -46.71 -40.43 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -59.1 -55.37 35.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 t -54.67 -58.12 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 130' ' ' GLN . 32.9 mt -55.92 -58.11 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -37.32 -47.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 133' ' ' ARG . 19.4 t -58.57 -38.58 78.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' LEU . 2.0 pp0? -54.36 -34.44 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -88.51 -30.77 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.5 m -83.86 -64.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 129' ' ' SER . 55.5 ttt-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 t -105.82 117.6 34.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -51.53 -51.8 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.79 127.21 5.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -81.29 168.93 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -132.06 89.99 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.3 46.77 1.06 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ptm -156.04 156.68 34.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.28 142.23 15.93 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.44 155.04 89.52 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.608 0.718 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.559 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.7 133.07 24.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -78.12 173.17 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.019 0.438 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -51.0 -61.94 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -40.22 -65.59 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.07 -50.93 8.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.924 HG23 HD21 ' A' ' 83' ' ' LEU . 74.4 mt -57.64 -39.56 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.1 mt -67.58 -29.87 69.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 7.0 m -70.29 -34.93 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.766 HG23 ' CD ' ' A' ' 87' ' ' GLN . 69.7 mt -76.22 -24.99 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.814 ' CZ ' HG22 ' A' ' 72' ' ' THR . 16.2 m-85 -90.22 -29.6 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 18' ' ' THR . 9.9 ptpt -65.67 -28.35 69.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -80.86 -41.77 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.834 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.658 HD21 ' C ' ' A' ' 86' ' ' MET . 7.6 mp -72.55 -44.42 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mtp-105 -57.12 -44.64 83.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -38.7 -47.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.503 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 2.7 t -55.66 136.82 71.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.6 Cg_endo -69.76 -28.17 25.59 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -85.55 -9.21 57.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.435 ' CG ' ' HB ' ' A' ' 26' ' ' VAL . 13.7 m-20 -102.82 -30.11 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ptpt -79.46 13.68 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 31' ' ' VAL . 16.7 m -137.35 118.08 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' VAL . 28.7 t -35.2 106.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.577 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -48.2 -21.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -75.58 -70.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.8 p -97.39 -43.31 7.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 122.33 7.1 7.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.15 124.66 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -67.99 147.94 51.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 8.0 m120 59.77 48.79 2.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.71 80.59 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.376 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -44.23 -62.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -49.16 139.43 10.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.4 137.71 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -103.43 106.16 16.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.466 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.3 mt -60.22 -44.05 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.54 HG22 ' HD2' ' A' ' 121' ' ' ARG . 0.3 OUTLIER -41.57 -58.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -100.54 12.63 36.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.95 49.24 4.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 m -124.55 165.31 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -102.18 133.06 47.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -128.82 170.8 12.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ASP . 24.4 p -116.92 148.31 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 52' ' ' CYS . 5.1 tp -33.23 -34.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' CYS . 9.2 t70 -67.07 -67.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.1 m -63.42 -55.08 27.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' CYS . 82.3 p -33.45 -36.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.94 -48.36 82.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.2 m -52.27 -49.9 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 110.838 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.876 ' HB3' HD11 ' A' ' 69' ' ' ILE . 9.3 m-70 -54.96 -48.82 72.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -51.2 -38.6 53.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 t -62.22 -47.06 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.851 ' HB3' HD13 ' A' ' 66' ' ' LEU . 20.7 mt -47.81 -47.14 31.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.467 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 131.6 126.33 2.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.535 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -38.79 -31.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.467 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 28.6 p-80 -68.44 -43.19 77.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.851 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.1 tt -70.73 -47.72 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -153.36 105.13 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -78.0 134.25 37.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.876 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.1 mm -113.9 136.93 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -147.91 127.91 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -69.5 173.99 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.814 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 67.6 p -118.22 -30.56 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.213 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.72 -36.65 23.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.88 -67.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.85 114.64 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.8 p -117.48 -21.75 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -76.34 50.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.466 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 8.3 m95 -79.14 156.18 28.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' TRP . 20.3 m -102.32 127.89 49.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 82.1 m95 -33.88 -59.29 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -48.8 -47.12 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.485 ' O ' ' C ' ' A' ' 83' ' ' LEU . 87.3 mt-30 -60.11 -67.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.924 HD21 HG23 ' A' ' 16' ' ' ILE . 5.2 mt -30.64 -56.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.512 ' NH1' HD11 ' A' ' 19' ' ' ILE . 71.3 mmt-85 -52.84 -49.21 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 88' ' ' VAL . 75.9 m -37.09 -35.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.658 ' C ' HD21 ' A' ' 23' ' ' LEU . 68.5 mmm -70.84 -43.51 68.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.766 ' CD ' HG23 ' A' ' 19' ' ' ILE . 6.7 mt-30 -71.77 -36.84 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 85' ' ' CYS . 21.7 m -84.04 26.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.93 -92.91 0.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.8 159.64 34.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.471 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -66.01 -68.38 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -42.0 -49.59 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 92' ' ' ALA . 1.9 m -37.88 -47.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.99 -48.68 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 t -39.55 -39.07 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 97' ' ' PHE . 3.6 m -92.15 -56.72 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.5 t80 -34.87 -48.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 117' ' ' ALA . 17.8 m-85 -57.96 -66.63 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -44.58 -50.22 9.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -37.91 -46.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -73.02 -46.82 49.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 51.13 0.42 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.527 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 104' ' ' SER . 19.0 p -67.88 -46.26 72.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.426 ' N ' ' SG ' ' A' ' 103' ' ' CYS . 24.5 t 46.02 38.66 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.4 m -135.6 138.74 43.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 107' ' ' ASP . 60.9 m-20 -103.44 -43.01 5.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' ASN . 4.8 m-20 -36.29 138.81 0.19 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.0 m -79.13 -37.37 38.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 1.1 t30 -77.72 -5.57 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -116.01 -57.69 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -47.92 -40.42 21.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.422 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 45.1 m-85 -83.04 -26.4 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.4 HD22 HD11 ' A' ' 66' ' ' LEU . 9.1 m120 -89.5 19.52 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.6 p -105.29 163.05 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -55.15 -56.62 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.92 -49.98 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 98' ' ' PHE . . . -57.11 -55.5 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.45 -59.1 3.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.2 mt -38.96 -44.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 121' ' ' ARG . 34.6 t80 -57.63 -66.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.54 ' HD2' HG22 ' A' ' 46' ' ' THR . 12.1 mtm180 -35.26 -65.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -43.82 -52.86 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -49.39 -52.94 25.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.8 mm -48.16 -46.49 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -55.32 -44.87 76.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.9 t -59.59 -68.58 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 130' ' ' GLN . 14.6 mt -45.97 -53.26 10.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -37.16 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 127' ' ' LEU . 46.0 p -68.47 -47.14 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 127' ' ' LEU . 68.8 mt-30 -48.9 -41.47 33.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.3 -42.77 16.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.4 m -61.23 -63.56 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -45.9 -43.71 13.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -42.71 115.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 136' ' ' GLY . 74.1 m80 40.6 43.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 34.22 -123.92 0.46 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 138' ' ' ASP . 34.7 p -63.7 -50.53 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 111.191 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 137' ' ' THR . 1.2 m-20 -34.41 102.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 140' ' ' TRP . 10.2 tp -43.24 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 141' ' ' LEU . 1.1 p90 -34.07 -46.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.533 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 2.9 mt -39.48 -63.77 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -160.61 166.64 28.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.7 t -75.13 102.67 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 8.2 t -74.51 -43.36 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 146' ' ' PRO . . . 138.44 98.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.418 ' HD2' ' HA2' ' A' ' 145' ' ' GLY . 54.5 Cg_endo -69.73 128.09 15.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.736 2.291 . . . . 0.0 112.379 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 68.6 m -78.04 127.35 32.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 64.2 m -49.49 106.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.468 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -110.91 140.67 45.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 p -161.63 136.52 7.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.73 126.64 3.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 m -91.92 158.61 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -96.7 45.99 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.39 48.2 4.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -80.7 42.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 37.2 -146.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.9 158.38 69.96 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.615 0.722 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HB3' ' CE2' ' A' ' 80' ' ' TRP . 52.9 Cg_endo -69.8 118.85 5.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 m -63.02 167.7 4.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -47.86 -58.71 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -44.47 -62.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.594 ' O ' HD12 ' A' ' 19' ' ' ILE . 37.6 m-20 -46.02 -52.45 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.888 HG23 HD21 ' A' ' 83' ' ' LEU . 77.1 mt -51.66 -40.77 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.069 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.33 -28.07 69.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.8 m -68.86 -31.7 70.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 15' ' ' ASP . 4.1 mp -78.78 -28.57 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.626 ' CZ ' HG22 ' A' ' 72' ' ' THR . 16.6 m-85 -85.3 -43.36 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -47.29 -34.98 7.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -66.88 -41.24 87.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' A' ' 87' ' ' GLN . 34.0 mt -78.64 -57.06 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 10.0 mtp-105 -42.9 -51.24 5.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.2 p -40.28 -35.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 28' ' ' THR . 5.3 t -74.7 135.19 74.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.4 Cg_endo -69.82 1.57 4.35 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.441 ' H ' HG12 ' A' ' 26' ' ' VAL . 72.6 p -106.3 -16.11 14.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -105.48 -28.13 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ptpt -75.68 7.18 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.2 m -136.23 119.97 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.6 t -35.28 112.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -50.71 -26.77 5.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -70.76 -71.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.3 p -97.03 -49.42 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.55 13.57 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.1 124.2 14.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -64.0 139.43 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.473 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 43.5 t30 64.39 52.66 1.23 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.81 80.23 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -40.36 -68.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 68.6 m95 -48.94 143.39 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.31 127.83 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.4 t -86.61 119.88 27.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.536 HG21 ' HG2' ' A' ' 82' ' ' GLN . 23.1 mt -73.92 -56.22 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ILE . 43.6 m -34.71 -43.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.8 -27.38 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.48 37.3 27.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.4 m -118.98 174.64 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.52 140.41 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.0 mt -136.66 169.4 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.5 p -115.4 147.61 40.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.8 tp -32.8 -38.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' CYS . 3.8 m-20 -64.81 -67.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 56' ' ' SER . 67.9 m -62.35 -54.94 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.7 p -33.03 -40.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.79 -47.74 83.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.485 ' HB3' HG21 ' A' ' 108' ' ' THR . 2.7 m -52.58 -41.82 63.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.735 ' HB3' HD11 ' A' ' 69' ' ' ILE . 6.6 m-70 -65.56 -46.24 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -49.39 -34.28 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -67.26 -44.94 78.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD13 HD22 ' A' ' 66' ' ' LEU . 91.4 mt -44.62 -56.75 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 141.2 127.84 2.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.1 m -41.67 -25.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 111.173 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.428 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 32.4 p-80 -78.37 -38.71 41.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.498 HD22 HD13 ' A' ' 62' ' ' LEU . 1.7 tt -76.17 -40.92 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -159.58 108.17 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -86.16 132.47 34.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.735 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.5 mm -108.53 149.34 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -165.14 122.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -61.61 178.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.626 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 67.4 p -117.91 -41.07 2.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.87 -43.05 25.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.79 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -77.79 -64.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -62.44 129.61 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' HD11 ' A' ' 16' ' ' ILE . 5.5 p -128.09 -25.92 2.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -77.41 46.83 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -71.74 174.96 6.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' TRP . 67.9 m -115.97 121.13 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.512 ' CE2' ' HB3' ' A' ' 11' ' ' PRO . 16.9 m95 -34.56 -37.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -71.38 -51.54 23.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.536 ' HG2' HG21 ' A' ' 45' ' ' ILE . 89.7 mt-30 -56.67 -37.59 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.888 HD21 HG23 ' A' ' 16' ' ' ILE . 18.1 mt -58.64 -54.86 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 23.9 mmt-85 -54.8 -39.74 68.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 124' ' ' ILE . 74.6 m -48.51 -36.01 14.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 81.1 mmm -64.92 -40.6 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.944 ' HA ' HD21 ' A' ' 23' ' ' LEU . 22.2 mt-30 -72.63 -63.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.522 HG11 ' N ' ' A' ' 128' ' ' ALA . 35.7 m -41.96 -30.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -102.38 -109.08 3.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 100.95 155.16 27.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' ND2' ' HB2' ' A' ' 33' ' ' PHE . 1.8 m-20 -45.64 -68.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -34.94 -63.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -29.81 -64.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.723 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.73 79.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -38.92 -33.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' PHE . 11.9 t -106.15 -51.07 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.651 ' CE1' ' CE1' ' A' ' 101' ' ' HIS . 10.5 t80 -32.61 -46.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -61.63 -59.34 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -57.76 -55.04 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -45.66 -47.18 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.651 ' CE1' ' CE1' ' A' ' 97' ' ' PHE . 1.4 m80 -60.95 -61.67 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.16 41.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.9 t -145.18 109.41 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.3 m -111.19 41.11 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.773 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.5 m -78.94 126.48 30.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -83.02 -29.16 29.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -49.25 171.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 58' ' ' SER . 70.3 m -111.05 -43.75 3.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -77.38 -8.36 57.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.58 -55.1 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -50.67 -46.87 58.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.466 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 52.8 m-85 -76.38 -23.62 54.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -88.37 20.48 3.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.3 p -101.73 169.89 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -64.53 -49.78 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.12 -43.21 30.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.02 -52.98 61.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -49.48 -62.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 101' ' ' HIS . 37.7 mt -42.51 -40.47 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 121' ' ' ARG . 41.9 t80 -61.41 -62.44 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 120' ' ' TYR . 42.1 mtm180 -37.22 -66.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -48.4 -51.46 26.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -43.78 22.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.407 ' CG2' ' HB3' ' A' ' 85' ' ' CYS . 26.4 mm -56.78 -44.04 80.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -61.63 -37.4 83.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 t -66.89 -54.89 17.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.471 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 47.1 mt -57.82 -61.27 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.522 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -40.01 -45.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.4 t -51.68 -39.69 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -60.02 -56.25 23.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.0 73.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.7 m -69.79 -49.36 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 134' ' ' LYS . 6.6 ptt85 -73.61 -34.6 65.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.468 ' CE ' ' HB2' ' A' ' 140' ' ' TRP . 0.9 OUTLIER -34.45 -58.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -133.16 -45.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 99.14 -137.89 13.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.432 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 15.7 p -42.23 -36.01 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.71 137.85 55.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 140' ' ' TRP . 4.4 mm? -77.54 92.21 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.733 ' CE2' HD12 ' A' ' 141' ' ' LEU . 11.4 p90 -34.54 -41.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.733 HD12 ' CE2' ' A' ' 140' ' ' TRP . 4.2 mp -34.75 109.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.14 145.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.1 m -68.31 124.47 23.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 34.3 t -94.89 -51.48 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.2 -103.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 90.02 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.397 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.3 t -73.62 131.13 41.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.8 m -146.77 171.68 14.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.489 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -108.47 128.89 55.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -64.47 -52.28 58.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.88 -140.84 8.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -46.38 110.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.937 0.399 . . . . 0.0 110.901 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -132.12 84.12 2.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.66 57.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.41 152.86 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.32 141.39 16.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -52.85 152.43 7.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.5 Cg_endo -69.84 125.87 12.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.592 2.195 . . . . 0.0 112.38 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 m -79.7 174.08 11.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -48.93 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -42.35 -62.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -49.97 -54.71 18.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.686 HG23 HD11 ' A' ' 83' ' ' LEU . 65.0 mt -48.43 -33.39 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -73.95 -32.01 63.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.559 HG21 ' HG ' ' A' ' 139' ' ' LEU . 21.5 m -57.35 -28.84 63.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.692 HG23 ' NE2' ' A' ' 87' ' ' GLN . 4.9 mp -87.02 -40.44 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.949 ' CZ ' HG22 ' A' ' 72' ' ' THR . 12.4 m-85 -71.6 -27.47 63.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -61.98 -40.18 94.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -68.87 -33.58 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD11 ' HG2' ' A' ' 87' ' ' GLN . 10.7 mp -81.58 -63.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LEU . 43.6 mtp180 -38.18 -51.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.8 p -39.88 -50.18 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 28' ' ' THR . 3.4 t -55.15 130.49 68.31 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.685 0.755 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -2.21 9.74 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.48 ' H ' HG12 ' A' ' 26' ' ' VAL . 44.6 p -104.45 -11.8 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -107.38 -25.3 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -78.19 10.59 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' CYS . 5.3 m -135.27 120.9 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 36' ' ' GLY . 29.3 t -37.57 104.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.606 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.99 -22.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -74.02 -71.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.6 p -96.49 -45.15 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 123.68 9.28 5.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.427 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.32 128.83 29.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -71.11 146.93 48.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.508 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.7 m-20 60.96 50.38 2.06 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.75 80.51 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 p -42.23 -68.03 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.522 ' CD1' ' HA ' ' A' ' 53' ' ' ILE . 85.5 m95 -46.8 143.37 2.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.47 133.82 19.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 t -96.22 113.68 25.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.402 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 13.7 mt -69.64 -44.57 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.188 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 32.1 m -47.85 -46.59 31.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.741 ' O ' HG13 ' A' ' 49' ' ' VAL . 60.1 m-85 -104.68 10.84 34.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.98 44.5 2.77 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 47' ' ' TYR . 18.2 m -125.04 169.98 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -107.13 145.86 31.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.0 mt -142.51 165.78 26.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.8 p -106.75 148.73 28.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.522 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.4 tp -33.91 -33.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' CYS . 13.7 t70 -69.0 -72.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 56' ' ' SER . 85.9 m -55.12 -55.59 29.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' CYS . 61.7 p -32.57 -37.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.6 -50.04 62.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.53 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.2 m -51.38 -42.04 61.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.918 ' HB3' HD11 ' A' ' 69' ' ' ILE . 12.7 m-70 -64.4 -46.36 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -55.31 -35.81 65.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -67.15 -53.71 28.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 59' ' ' HIS . 15.8 mt -40.03 -51.61 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 139.71 124.5 2.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -38.6 -29.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 63' ' ' GLY . 21.5 p80 -68.82 -45.17 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -67.11 -44.61 79.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.401 ' OG ' ' CE1' ' A' ' 47' ' ' TYR . 1.8 m -156.48 109.8 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -81.92 129.2 34.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.918 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.1 mm -108.72 138.43 35.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -144.28 148.48 34.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.42 132.41 39.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.949 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 60.4 p -77.62 -46.41 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.69 -73.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.9 mt -42.75 -66.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.84 137.86 37.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.5 p -129.01 -8.2 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -86.7 50.54 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.402 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 6.4 m95 -73.89 -177.73 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' GLN . 9.6 m -124.89 129.02 49.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.572 ' CZ2' ' HB ' ' A' ' 137' ' ' THR . 39.5 m95 -39.13 -50.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -57.32 -37.96 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' SER . 84.1 mt-30 -73.98 -26.57 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.686 HD11 HG23 ' A' ' 16' ' ' ILE . 4.2 mm? -66.68 -52.23 47.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 22.2 mmt-85 -63.03 -34.75 78.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.7 m -50.27 -30.88 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.427 ' C ' HD21 ' A' ' 23' ' ' LEU . 89.4 mmm -73.99 -46.0 46.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.692 ' NE2' HG23 ' A' ' 19' ' ' ILE . 11.6 mt-30 -64.84 -61.33 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 128' ' ' ALA . 13.1 m -49.44 -18.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.65 -116.28 4.17 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.34 160.05 13.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.483 ' ND2' ' HB2' ' A' ' 33' ' ' PHE . 4.7 m-20 -63.07 -57.9 9.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -55.6 -49.68 72.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 92' ' ' ALA . 13.7 m -34.25 -53.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.36 -47.37 56.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' ALA . 30.0 t -35.61 -39.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 97' ' ' PHE . 72.0 m -90.94 -58.05 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.5 t80 -34.21 -54.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -49.25 -54.04 18.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.4 t-160 -62.49 -55.17 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 99' ' ' HIS . 11.5 mm100 -33.32 -46.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -71.09 -62.53 1.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.12 50.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.7 t -128.78 84.7 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.1 p -90.21 44.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.3 m -96.55 134.13 40.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.232 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 107' ' ' ASP . 7.6 m120 -90.97 -47.12 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 106' ' ' ASN . 17.7 m-20 -34.34 133.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 58' ' ' SER . 55.2 m -76.07 -36.94 58.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -77.96 -7.74 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -114.31 -59.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -45.03 -38.99 5.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.409 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 47.1 m-85 -84.36 -28.63 26.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -85.7 21.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.1 p -101.61 173.47 6.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -69.99 -47.16 63.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.11 -43.95 61.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.41 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' LEU . 20.6 mt-30 -52.68 -62.58 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' GLN . 67.8 mt -37.48 -43.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.496 ' CE1' HD11 ' A' ' 124' ' ' ILE . 9.9 t80 -58.73 -58.76 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 23.0 mtm180 -41.23 -65.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -47.0 -51.26 17.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -47.66 -50.82 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.496 HD11 ' CE1' ' A' ' 120' ' ' TYR . 34.3 mm -50.39 -39.39 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -58.78 -51.9 68.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.9 m -57.97 -51.34 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 130' ' ' GLN . 29.6 mt -60.17 -63.69 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -35.19 -38.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m -61.96 -45.23 94.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -51.57 -36.46 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -84.79 -33.66 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 134' ' ' LYS . 23.5 m -71.55 -66.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -39.55 -27.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 135' ' ' HIS . 6.5 tppt? -38.62 158.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.472 ' C ' ' O ' ' A' ' 134' ' ' LYS . 6.2 m170 -32.17 99.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 34.3 -149.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.446 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.572 ' HB ' ' CZ2' ' A' ' 80' ' ' TRP . 65.6 p -73.01 -31.39 64.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 137' ' ' THR . 1.0 OUTLIER -33.18 109.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.559 ' HG ' HG21 ' A' ' 18' ' ' THR . 1.9 mm? -43.15 109.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.629 ' CZ2' HD22 ' A' ' 141' ' ' LEU . 13.6 p90 -33.33 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.629 HD22 ' CZ2' ' A' ' 140' ' ' TRP . 1.2 pt? -99.02 138.58 35.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -175.79 155.35 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.0 t -119.25 158.6 25.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.2 m -119.29 -63.85 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 80.53 -162.11 45.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 109.41 2.3 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 112.309 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 34.9 p -88.45 86.39 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 60.0 p -41.38 -47.77 3.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.506 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -105.88 108.26 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.812 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -175.0 165.99 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.9 -100.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.543 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 m -60.2 104.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -100.48 131.66 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.45 165.35 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -38.43 135.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 162.77 52.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.8 152.4 53.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.75 126.88 13.83 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.283 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -65.89 169.77 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -53.2 -58.22 7.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -44.7 -60.62 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -44.88 -52.12 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.557 HD11 ' O ' ' A' ' 76' ' ' SER . 69.6 mt -51.12 -55.68 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 18' ' ' THR . 95.7 mt -40.06 -67.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' LEU . 4.1 m -36.99 -67.46 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.834 ' CD1' HD13 ' A' ' 83' ' ' LEU . 63.6 mt -37.15 -36.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CZ ' HG22 ' A' ' 72' ' ' THR . 12.1 m-85 -82.16 -60.65 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' PHE . 6.1 pttp -36.93 -39.34 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -60.69 -44.22 96.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.694 HD21 ' HA ' ' A' ' 87' ' ' GLN . 67.1 mt -76.85 -44.19 33.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' SER . 38.8 mtp180 -49.24 -49.44 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -35.9 -51.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 28' ' ' THR . 6.0 t -48.99 131.41 15.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.689 0.757 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 4.23 2.29 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.447 ' H ' HG12 ' A' ' 26' ' ' VAL . 68.7 p -113.75 -16.33 12.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -100.22 -26.25 13.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -76.68 7.99 4.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.0 m -136.27 121.94 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 8.2 t -37.04 105.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -44.78 -30.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 2.8 t0 -64.46 -72.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.3 p -98.5 -48.89 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 128.26 12.54 2.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 116.53 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -59.67 143.11 51.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.478 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.8 m-20 63.05 52.12 1.55 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.1 Cg_endo -69.88 79.98 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -40.73 -67.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -48.89 147.42 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.18 124.68 8.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -89.58 113.25 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.612 HD13 ' CD ' ' A' ' 82' ' ' GLN . 12.5 mt -64.71 -49.59 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -36.36 -63.45 0.39 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -91.38 5.0 51.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.31 55.48 7.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 91' ' ' ASN . 3.1 m -135.41 168.6 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.084 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -101.79 143.85 31.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 23.1 mt -140.27 168.47 19.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' ILE . 30.5 p -111.67 147.7 34.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.9 tp -34.62 -36.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' CYS . 2.2 m-20 -66.28 -58.09 6.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.79 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' GLY . 79.0 m -69.12 -54.19 16.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 55' ' ' CYS . 57.8 p -33.38 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.98 -48.89 79.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -50.18 -40.72 47.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 -179.752 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.867 ' HB3' HD11 ' A' ' 69' ' ' ILE . 20.5 m-70 -69.56 -44.0 71.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -53.33 -38.06 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -66.14 -46.12 78.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.465 HD13 HD22 ' A' ' 66' ' ' LEU . 98.4 mt -44.94 -55.9 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.508 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.86 127.49 2.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -41.53 -28.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.508 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 37.5 p-80 -73.47 -42.28 62.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.465 HD22 HD13 ' A' ' 62' ' ' LEU . 1.1 tt -72.25 -46.41 56.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -152.67 104.93 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.94 133.7 36.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.867 HD11 ' HB3' ' A' ' 59' ' ' HIS . 4.1 mm -107.79 145.13 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.175 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -159.07 126.68 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.03 174.08 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.606 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 79.9 p -115.78 -39.8 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.95 -40.95 27.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.6 mt -82.63 -66.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.34 126.7 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.557 ' O ' HD11 ' A' ' 16' ' ' ILE . 4.1 p -127.05 -21.49 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -81.99 48.53 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.458 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 7.1 m95 -73.14 178.35 4.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 80' ' ' TRP . 70.4 m -122.65 124.12 42.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.678 ' CD1' HG22 ' A' ' 137' ' ' THR . 30.8 m95 -33.82 -43.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -65.6 -51.23 61.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.612 ' CD ' HD13 ' A' ' 45' ' ' ILE . 15.0 mt-30 -58.43 -34.84 71.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.834 HD13 ' CD1' ' A' ' 19' ' ' ILE . 9.8 mt -60.89 -62.05 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' GLN . 16.8 mmt-85 -43.88 -47.77 8.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.1 m -39.04 -42.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 79.3 mmm -65.91 -39.86 90.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.813 HE21 HG23 ' A' ' 19' ' ' ILE . 16.2 mm-40 -68.17 -60.64 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.418 HG11 ' C ' ' A' ' 127' ' ' LEU . 24.0 m -51.82 -28.56 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.7 -138.95 10.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.83 160.27 8.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.432 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.448 ' HA ' HG12 ' A' ' 49' ' ' VAL . 2.2 m120 -54.49 -52.57 61.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.836 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -60.46 -49.76 76.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' ALA . 3.4 m -36.23 -50.06 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.21 -50.32 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 t -38.18 -42.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -86.77 -47.57 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.88 -56.85 4.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -50.71 -62.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.58 -51.52 20.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -43.16 -50.05 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -64.2 -58.88 5.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.26 43.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.454 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 33.5 t -108.23 81.47 1.49 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.848 0.356 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.9 t -82.42 84.03 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 94.6 m -149.04 133.17 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 107' ' ' ASP . 12.5 p-10 -91.34 -44.45 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.588 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 11.1 m-20 -34.46 132.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.468 HG23 ' CD2' ' A' ' 112' ' ' TYR . 98.7 m -77.36 -38.82 49.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -74.91 -8.07 55.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -114.24 -58.56 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -47.77 -41.51 23.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.468 ' CD2' HG23 ' A' ' 108' ' ' THR . 46.5 m-85 -80.79 -30.61 35.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.46 ' ND2' HD11 ' A' ' 66' ' ' LEU . 11.7 m120 -87.64 27.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.9 p -111.5 172.68 6.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -64.28 -54.97 24.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.02 -43.45 14.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.95 -54.01 45.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -51.69 -62.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.5 mt -37.01 -42.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.424 ' CE1' HD11 ' A' ' 124' ' ' ILE . 22.3 t80 -57.82 -64.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 120' ' ' TYR . 13.3 mtm105 -36.99 -62.72 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -44.48 -51.71 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -49.22 -52.79 24.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 120' ' ' TYR . 45.4 mm -49.64 -42.71 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.56 -46.15 87.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 t -58.6 -51.29 70.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.418 ' C ' HG11 ' A' ' 88' ' ' VAL . 21.5 mt -66.33 -54.82 20.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -40.32 -40.74 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 t -58.99 -39.23 81.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 127' ' ' LEU . 43.1 mt-30 -59.51 -59.47 5.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.458 ' O ' ' NE ' ' A' ' 84' ' ' ARG . . . -61.51 -27.13 68.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.2 m -72.73 -60.39 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.6 ptt85 -56.8 -33.83 67.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -55.16 96.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.493 ' O ' ' C ' ' A' ' 136' ' ' GLY . 90.7 m-70 63.98 44.05 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 30.07 -128.54 0.13 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.678 HG22 ' CD1' ' A' ' 80' ' ' TRP . 63.3 p -61.83 -43.63 98.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 111.173 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -41.12 111.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 140' ' ' TRP . 13.5 mt -51.37 105.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.429 ' C ' ' O ' ' A' ' 139' ' ' LEU . 4.0 p90 -35.49 -41.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 9.7 mt -36.06 133.35 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -47.0 -51.72 16.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.5 t -57.55 113.12 1.66 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 10.3 m -153.25 119.86 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.58 12.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 1.36 4.54 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.298 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 t -100.59 44.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 64.6 m -98.86 83.24 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.481 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.5 m -161.1 108.8 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -98.67 91.78 5.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.24 127.86 46.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -62.68 141.34 58.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 p -173.77 154.8 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.26 61.94 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -48.72 -30.13 5.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.783 0.325 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.33 158.19 11.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.35 152.57 42.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.78 138.89 38.84 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.695 2.263 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.75 173.91 8.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -49.86 -40.57 42.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -65.54 -39.37 91.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' HD12 ' A' ' 19' ' ' ILE . 5.7 m-20 -68.83 -43.09 76.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.456 HG23 HD21 ' A' ' 83' ' ' LEU . 40.1 mt -62.12 -35.09 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.88 -31.24 70.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.469 HG21 HD22 ' A' ' 139' ' ' LEU . 52.6 m -68.06 -37.48 81.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 83' ' ' LEU . 2.4 mp -75.72 -25.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.605 ' CZ ' HG22 ' A' ' 72' ' ' THR . 7.8 m-85 -87.54 -33.4 18.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -53.06 -35.83 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 tpt85 -78.13 -24.49 47.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -78.8 -64.2 1.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 35.4 mtp180 -44.37 -41.3 6.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 t -40.38 -52.47 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 2.3 t -56.24 136.55 75.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.584 0.707 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.5 Cg_endo -69.81 -10.09 27.68 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.487 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 51.1 p -101.59 -12.26 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -99.78 -32.1 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' CE ' ' O ' ' A' ' 24' ' ' ARG . 16.3 ptpt -74.19 5.52 4.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 m -135.41 128.42 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' GLY . 29.5 t -43.36 105.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.436 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 0.5 OUTLIER -47.17 -24.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.07 -71.23 0.29 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.0 p -96.35 -44.79 7.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 122.29 9.8 6.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.492 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.17 126.75 26.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.402 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -68.55 145.84 53.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.7 t-20 63.01 52.65 1.65 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.4 Cg_endo -69.9 80.17 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.623 2.215 . . . . 0.0 112.318 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 p -40.25 -66.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.811 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.471 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 62.2 m95 -52.62 151.21 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.63 126.55 6.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.06 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -86.75 115.39 24.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.577 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 17.6 mt -69.68 -43.53 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.459 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 69.2 m -46.09 -53.97 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -96.79 4.0 51.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.45 44.35 21.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.94 169.28 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -106.56 136.6 46.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -134.26 171.63 13.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' ILE . 22.7 p -116.01 149.23 39.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 54' ' ' ASP . 2.3 tp -31.09 -46.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.205 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 53' ' ' ILE . 46.8 m-20 -58.97 -68.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLY . 72.0 m -58.71 -58.01 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' CYS . 58.4 p -33.47 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.32 -48.49 80.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.658 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.2 m -51.08 -48.78 61.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.697 ' HA ' HD12 ' A' ' 62' ' ' LEU . 23.8 m-70 -59.12 -44.83 92.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' CG ' HG13 ' A' ' 69' ' ' ILE . 68.9 mtp180 -55.31 -37.03 66.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 t -62.99 -50.49 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 59' ' ' HIS . 11.9 mt -45.18 -64.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 150.73 129.49 1.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -41.95 -27.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.423 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 54.9 p-80 -68.47 -47.94 65.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 65' ' ' HIS . 2.6 tt -70.07 -42.74 72.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -155.98 117.44 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -91.4 139.3 30.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.668 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.4 mm -114.41 154.98 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 9.5 mtp180 -167.87 131.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.5 m -78.14 156.59 29.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.605 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 30.8 p -98.42 -39.93 8.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.17 -52.75 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -73.15 -57.35 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.37 108.99 16.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.7 m -119.13 35.44 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -116.88 34.14 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.577 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 12.5 m95 -69.06 161.96 27.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.33 151.88 26.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.729 ' NE1' HG22 ' A' ' 137' ' ' THR . 61.1 m95 -46.14 -40.73 11.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -71.0 -58.79 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -55.32 -14.99 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.671 HD13 HD13 ' A' ' 19' ' ' ILE . 26.2 mt -81.35 -57.34 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -59.9 -24.61 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.496 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 66.3 m -59.5 -31.58 69.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 84.3 mmm -70.09 -35.26 74.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.571 HE22 ' HH2' ' A' ' 140' ' ' TRP . 35.8 mt-30 -75.84 -64.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 22.2 m -43.65 -23.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.41 -114.14 3.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.29 164.41 15.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.42 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 28' ' ' THR . 2.0 m-20 -68.3 -56.13 9.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -54.63 -51.2 66.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ALA . 61.2 m -34.71 -53.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.18 -54.52 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.6 t -35.46 -36.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.1 m -94.62 -51.71 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -39.09 -55.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -47.89 -60.29 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -53.9 -55.21 28.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -40.04 -48.09 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -64.04 -50.65 67.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.806 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.24 47.35 0.3 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.507 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.4 m -128.17 94.95 4.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.3 t -89.83 96.21 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.0 m -138.47 146.31 41.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -117.31 -28.51 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.02 177.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.658 HG21 ' HB3' ' A' ' 58' ' ' SER . 97.2 m -110.42 -37.44 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -84.65 1.79 44.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.28 -46.02 2.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -56.75 -45.08 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.64 ' HE2' HG23 ' A' ' 108' ' ' THR . 23.0 m-85 -81.14 -22.29 39.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -89.94 17.95 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.1 p -103.6 159.34 15.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -54.28 -59.7 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -38.17 -52.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.1 -53.16 54.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 119' ' ' LEU . 24.1 mt-30 -52.2 -61.86 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 118' ' ' GLN . 62.7 mt -36.42 -40.27 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.576 ' CE1' HD11 ' A' ' 124' ' ' ILE . 39.2 t80 -62.6 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 20.2 mtm180 -35.59 -64.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -45.89 -52.09 12.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -50.76 -51.92 45.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.576 HD11 ' CE1' ' A' ' 120' ' ' TYR . 24.5 mm -44.02 -40.23 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -68.33 -42.01 79.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -61.34 -41.61 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 130' ' ' GLN . 24.6 mt -78.2 -55.78 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.496 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -39.82 -31.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.9 p -72.35 -39.94 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -53.95 -35.33 61.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -88.59 -32.36 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.1 m -74.02 -64.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -42.56 -55.36 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -38.97 -70.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.514 ' CE1' ' HA ' ' A' ' 140' ' ' TRP . 73.1 m80 -111.82 99.49 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -49.74 -70.13 0.88 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.729 HG22 ' NE1' ' A' ' 80' ' ' TRP . 11.5 p -119.89 36.98 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.178 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -129.24 161.08 31.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 142' ' ' ASP . 15.8 mt -99.45 97.27 8.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.571 ' HH2' HE22 ' A' ' 87' ' ' GLN . 9.2 p90 -38.95 -38.64 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.782 ' H ' HD23 ' A' ' 141' ' ' LEU . 0.4 OUTLIER -66.42 -39.4 88.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 139' ' ' LEU . 7.2 t0 -138.06 122.97 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.8 m -69.76 99.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.4 m -89.22 117.68 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.772 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.6 -164.99 0.93 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.446 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 85.99 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.4 t -98.23 146.34 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.6 t -148.38 165.84 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.473 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -102.16 -50.55 3.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 m -115.29 -60.98 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.46 67.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.436 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -86.91 105.13 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 t -166.4 112.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.19 172.46 22.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -149.53 164.47 34.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.1 -168.61 30.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -129.83 143.67 49.95 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.71 132.75 24.07 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.786 2.324 . . . . 0.0 112.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m -80.57 177.41 9.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.971 0.415 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -55.15 -57.63 10.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -44.81 -53.12 7.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.59 -51.72 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.569 HG23 HD21 ' A' ' 83' ' ' LEU . 68.3 mt -57.42 -34.39 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.57 -41.78 92.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -64.84 -59.89 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.991 ' CD1' HD13 ' A' ' 83' ' ' LEU . 95.8 mt -41.93 -38.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 72' ' ' THR . 14.1 m-85 -80.18 -60.98 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 22' ' ' ARG . 9.3 pttp -35.97 -46.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 21' ' ' LYS . 24.3 ttt85 -53.79 -45.15 70.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' PHE . 86.7 mt -76.3 -38.33 56.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -53.0 -49.78 65.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -38.85 -42.11 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 3.9 t -59.67 137.19 89.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.694 0.759 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.4 Cg_endo -69.89 -32.21 18.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.308 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -82.65 -6.36 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -106.75 -31.31 8.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 14.3 ptpt -78.19 11.56 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.5 m -133.9 125.86 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLY . 11.7 t -44.17 110.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.21 -28.98 2.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.08 -71.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 p -97.5 -47.04 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 121.96 13.12 5.1 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.25 128.17 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -68.09 142.83 55.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.483 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 9.8 m120 61.73 51.73 2.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.4 Cg_endo -69.78 80.04 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.228 . . . . 0.0 112.43 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 p -40.69 -65.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.431 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 81.5 m95 -50.89 145.39 7.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.89 124.18 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.085 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -83.45 119.43 24.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.569 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 23.4 mt -77.25 -46.69 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 26.6 m -50.03 -42.05 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.732 ' O ' HG13 ' A' ' 49' ' ' VAL . 54.0 m-85 -105.3 12.56 31.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.57 54.33 1.05 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 47' ' ' TYR . 15.8 m -139.15 157.36 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -92.3 142.95 26.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -139.29 168.85 18.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.4 p -114.0 146.96 39.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.1 tp -32.39 -40.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' N ' HG23 ' A' ' 53' ' ' ILE . 5.9 t70 -61.7 -69.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.1 m -58.3 -55.89 29.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' CYS . 53.6 p -33.95 -33.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.77 -48.65 80.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -52.05 -47.15 65.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.92 0.39 . . . . 0.0 110.892 -179.731 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.826 ' HB3' HD11 ' A' ' 69' ' ' ILE . 19.4 m-70 -58.68 -47.87 83.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -53.5 -38.6 63.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.1 m -60.73 -47.67 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.711 ' HB3' HD22 ' A' ' 66' ' ' LEU . 14.9 mt -48.91 -55.71 10.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 141.32 125.12 2.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -36.55 -34.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 63' ' ' GLY . 21.8 p80 -64.22 -46.44 83.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.711 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -67.75 -49.48 62.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.589 ' CB ' ' HD1' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -148.88 105.48 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -78.45 131.31 36.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.826 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.8 mm -111.03 136.55 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -147.96 129.29 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 t -69.71 162.52 27.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 66.4 p -103.52 -27.82 12.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -104.79 -45.77 4.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.47 37.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -171.22 115.93 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -119.69 35.48 4.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -121.78 40.03 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.569 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.7 m95 -81.92 146.53 29.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' TRP . 12.1 p -97.99 138.94 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 94.8 m95 -36.43 -41.69 0.3 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -66.63 -61.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.479 ' HG2' HG21 ' A' ' 45' ' ' ILE . 90.6 mt-30 -49.94 -32.45 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.991 HD13 ' CD1' ' A' ' 19' ' ' ILE . 12.9 mt -65.41 -67.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 45.3 mmt-85 -49.2 -40.1 32.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 82.3 m -45.12 -23.06 0.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 77.9 mmm -86.83 -40.94 14.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.815 ' OE1' HG23 ' A' ' 19' ' ' ILE . 18.7 mt-30 -73.02 -26.13 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.526 HG21 ' N ' ' A' ' 128' ' ' ALA . 27.6 m -91.47 19.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -135.11 -96.11 0.51 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.07 163.87 26.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.19 -70.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -40.64 -50.2 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ALA . 5.3 m -34.11 -50.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -74.82 -51.55 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 94' ' ' ALA . 25.9 t -35.05 -37.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' PHE . 30.6 t -95.27 -54.91 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.4 t80 -34.45 -51.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -51.62 -50.94 59.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -65.81 -47.77 73.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -43.75 -48.39 8.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -66.02 -44.79 83.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.8 44.77 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 t -130.29 95.54 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.0 m -102.59 89.31 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.8 m -135.71 140.14 44.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 107' ' ' ASP . 24.7 m-80 -94.02 -49.82 5.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 24.5 m-20 -34.34 133.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 96.9 m -77.79 -31.15 51.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -81.97 -9.01 59.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -114.83 -54.67 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -47.71 -41.32 22.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.461 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 46.4 m-85 -83.27 -28.06 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -87.15 20.63 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 p -101.06 171.19 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -67.15 -49.95 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.95 -42.56 48.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.74 76.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' LEU . 25.7 mt-30 -53.41 -60.36 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' GLN . 58.2 mt -36.82 -45.65 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 121' ' ' ARG . 18.6 t80 -57.21 -66.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.474 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 28.6 mtm180 -34.71 -64.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -46.96 -56.96 5.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -41.22 -56.97 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 30.9 mm -48.55 -36.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.38 -52.74 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.9 m -58.12 -65.28 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 130' ' ' GLN . 29.1 mt -47.82 -53.96 13.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.526 ' N ' HG21 ' A' ' 88' ' ' VAL . . . -35.32 -33.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 127' ' ' LEU . 23.8 p -72.53 -45.23 60.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.8 pt20 -46.14 -26.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 84' ' ' ARG . . . -103.83 -21.09 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.2 m -95.45 -61.13 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.484 ' O ' ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -58.46 -33.85 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 133' ' ' ARG . 49.3 tttt -31.47 -64.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -124.44 -44.87 1.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' THR . . . 83.6 145.02 6.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.507 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.532 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 72.3 p 34.88 44.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.34 . . . . 0.0 111.125 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -170.59 107.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 140' ' ' TRP . 3.6 mp -49.06 97.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.749 ' CZ2' HD22 ' A' ' 141' ' ' LEU . 7.2 p90 -30.62 -49.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.749 HD22 ' CZ2' ' A' ' 140' ' ' TRP . 0.8 OUTLIER -82.0 145.26 30.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.951 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -159.78 129.32 5.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 35.3 p -111.46 -43.61 3.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 8.4 t -111.48 -52.49 2.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 121.43 138.51 5.47 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 127.69 15.0 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.658 2.238 . . . . 0.0 112.357 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.8 t -84.11 147.79 27.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.9 t -101.75 129.28 47.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.536 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -39.5 141.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -55.54 119.94 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.3 129.85 32.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -108.88 177.51 4.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 110.902 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m -45.93 -55.2 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.02 151.9 23.56 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.522 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.445 ' SD ' HG23 ' A' ' 137' ' ' THR . 5.9 ptt? -117.8 156.68 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.94 147.98 28.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -86.61 153.87 55.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.541 0.686 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.68 136.67 33.82 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -79.43 162.35 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -45.19 -60.29 2.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -41.76 -56.89 2.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -52.1 -48.63 64.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.906 HG23 HD21 ' A' ' 83' ' ' LEU . 55.0 mt -58.69 -34.27 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.66 -34.55 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -70.14 -37.66 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.553 ' CD1' HD22 ' A' ' 83' ' ' LEU . 71.1 mt -67.66 -31.11 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CZ ' HG22 ' A' ' 72' ' ' THR . 11.2 m-85 -85.22 -47.97 9.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -36.94 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -64.77 -38.16 90.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD11 ' HG2' ' A' ' 87' ' ' GLN . 69.3 mt -81.25 -58.45 3.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 25' ' ' SER . 7.5 mtp-105 -39.27 -46.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' ARG . 35.7 t -37.13 -51.51 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 7.5 t -52.21 134.62 41.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.66 0.743 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.1 Cg_endo -69.68 5.95 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.3 p -115.34 -15.82 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -99.77 -28.14 13.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -75.6 6.08 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 m -134.77 127.63 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' GLY . 12.3 t -43.5 114.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -51.1 -30.39 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 4.7 t70 -66.94 -71.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.2 p -98.16 -48.11 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.44 9.41 4.5 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.427 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.01 121.89 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.09 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -65.85 143.97 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.456 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 94.6 m-20 62.14 53.51 2.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.71 82.27 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.38 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.49 -43.04 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -72.91 142.3 47.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB1' ' CE ' ' A' ' 86' ' ' MET . . . -149.35 125.44 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 t -89.25 114.06 25.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.612 HG21 ' HG2' ' A' ' 82' ' ' GLN . 12.6 mt -66.44 -43.54 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 29.9 m -41.98 -54.95 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' A' ' 46' ' ' THR . 57.0 m-85 -100.19 7.57 44.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.37 45.76 16.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 91' ' ' ASN . 2.1 m -124.83 164.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -101.6 131.96 47.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -125.45 175.71 7.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.1 p -119.44 151.19 38.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.5 tp -34.22 -41.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.95 -74.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 56' ' ' SER . 76.8 m -51.16 -57.19 9.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' CYS . 69.3 p -31.56 -40.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.49 -49.82 59.28 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.3 m -51.38 -40.24 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.881 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.801 ' HB3' HD11 ' A' ' 69' ' ' ILE . 9.4 m-70 -67.71 -43.35 80.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -53.63 -34.21 57.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.5 m -68.37 -50.7 51.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.774 ' HB3' HD13 ' A' ' 66' ' ' LEU . 58.9 mt -42.09 -49.07 4.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 130.39 127.96 2.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -38.7 -35.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -64.5 -43.93 92.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.774 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.4 tt -71.53 -43.0 67.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -157.96 112.87 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -86.49 132.61 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.801 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.6 mm -107.51 133.89 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -146.85 127.7 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 m -68.89 -177.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.597 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 57.9 p -125.39 -38.32 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -79.94 -37.21 35.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mp -91.73 -62.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.96 112.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 p -112.48 -22.69 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -76.01 53.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.495 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.3 m95 -85.74 134.31 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 80' ' ' TRP . 53.3 p -81.67 129.87 34.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.552 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 70.9 m95 -32.93 -39.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' SER . 44.2 t80 -68.17 -59.11 3.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.612 ' HG2' HG21 ' A' ' 45' ' ' ILE . 66.8 mt-30 -47.05 -39.96 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.906 HD21 HG23 ' A' ' 16' ' ' ILE . 7.7 mt -57.32 -63.54 1.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HD2' ' HB1' ' A' ' 131' ' ' ALA . 50.4 mmt-85 -51.09 -46.42 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.8 m -39.2 -32.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.463 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 81.6 mmm -72.85 -46.2 54.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.618 ' HG2' HD11 ' A' ' 23' ' ' LEU . 6.0 mt-30 -65.47 -59.85 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.489 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 26.8 m -45.96 -22.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.8 -121.19 4.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.26 159.87 10.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.429 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.403 ' HA ' HG12 ' A' ' 49' ' ' VAL . 2.1 m120 -61.55 -61.44 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.823 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -50.26 -51.6 43.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' ALA . 2.7 m -34.36 -53.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -70.72 -53.11 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 94' ' ' ALA . 21.5 t -34.87 -36.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' ALA . 50.7 m -96.62 -52.25 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' SER . 26.3 t80 -36.0 -56.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.791 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CZ ' ' HE2' ' A' ' 111' ' ' LYS . 32.4 m-85 -45.98 -52.01 12.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.5 t-160 -67.97 -58.25 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 99' ' ' HIS . 80.1 mm-40 -36.76 -45.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -66.47 -49.78 65.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.09 43.14 0.3 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.3 m -128.31 114.53 17.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.6 p -115.31 82.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.8 m -135.18 143.28 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' ASP . 6.6 p-10 -98.93 -47.76 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.558 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 57.7 m-20 -33.78 131.04 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.0 m -75.31 -33.24 61.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -81.15 -10.43 59.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -110.77 -59.14 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.523 ' HE2' ' CZ ' ' A' ' 98' ' ' PHE . 55.9 tttt -45.09 -42.99 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -78.9 -31.45 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -85.73 22.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 p -101.19 175.49 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -66.77 -53.32 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.811 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.21 -50.21 39.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.15 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -59.6 -59.36 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 68.4 mt -44.66 -33.91 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -64.83 -49.66 69.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 8.1 mtm105 -56.75 -58.7 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 7.6 pt-20 -49.93 -40.94 45.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.519 ' N ' ' HG3' ' A' ' 122' ' ' GLU . 3.8 ttmm -60.31 -47.41 86.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 46.0 mm -54.89 -32.49 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -64.78 -53.24 50.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.1 t -58.45 -49.67 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.489 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 11.2 mt -59.81 -59.4 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.468 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -36.46 -31.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.7 m -68.31 -44.73 74.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.7 pt20 -51.84 -44.39 63.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -77.19 -40.11 46.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.4 m -63.66 -68.76 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -44.61 -40.6 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.94 120.61 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 136' ' ' GLY . 45.4 m170 42.11 47.44 3.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 32.7 -136.24 0.15 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.538 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.445 HG23 ' SD ' ' A' ' 8' ' ' MET . 58.8 p -78.7 52.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.177 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 140' ' ' TRP . 38.7 t70 -136.9 118.96 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 140' ' ' TRP . 3.1 mm? -35.82 93.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.489 ' C ' ' O ' ' A' ' 139' ' ' LEU . 19.9 p90 -31.26 -41.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 139' ' ' LEU . 4.7 mp -37.43 153.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.2 147.78 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.2 p -67.17 97.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 83.8 p -93.29 -44.71 8.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.783 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -175.5 144.0 6.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 88.94 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.393 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.1 m -112.59 91.26 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.8 t -87.86 -56.28 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.8 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.559 -179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t -149.2 142.84 25.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -65.2 151.53 45.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.07 67.37 0.17 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 p -54.85 166.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 m -103.4 147.93 26.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.79 57.43 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.6 ttt -72.97 120.17 18.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.88 -149.54 25.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -125.04 137.91 30.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.541 0.686 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.3 Cg_endo -69.7 120.84 7.57 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -77.87 164.11 25.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -41.7 -56.59 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -42.92 -62.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -51.57 -48.75 63.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.922 HG23 HD11 ' A' ' 83' ' ' LEU . 68.9 mt -58.79 -35.4 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.74 -44.71 92.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' LYS . 49.4 m -56.8 -67.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.938 HD13 ' HB3' ' A' ' 83' ' ' LEU . 15.4 mt -39.36 -33.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.666 ' CZ ' HG22 ' A' ' 72' ' ' THR . 9.0 m-85 -84.62 -34.76 23.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -63.17 -35.17 79.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -70.26 -40.15 74.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 19' ' ' ILE . 5.3 mp -73.17 -59.24 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' SER . 31.1 mtp180 -40.83 -51.16 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' ARG . 32.4 t -38.07 -39.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.509 HG13 ' HD2' ' A' ' 27' ' ' PRO . 25.8 t -62.24 136.68 95.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.509 ' HD2' HG13 ' A' ' 26' ' ' VAL . 53.3 Cg_endo -69.8 12.97 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 91' ' ' ASN . 32.3 p -123.96 -15.89 6.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -102.25 -22.27 14.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -79.97 7.01 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 15.9 m -137.9 127.87 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' GLY . 6.7 t -45.1 116.2 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -50.81 -33.33 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -63.77 -71.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.4 p -99.77 -47.27 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 123.56 12.33 4.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.16 120.01 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -59.29 143.34 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.4 m120 62.65 54.75 2.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.3 Cg_endo -69.82 79.92 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 p -42.21 -66.87 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 70.8 m95 -51.91 149.07 5.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.1 126.58 10.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.148 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -92.24 111.01 22.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.569 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.1 mt -64.79 -42.54 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 m -39.2 -62.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.481 ' O ' HG13 ' A' ' 49' ' ' VAL . 51.0 m-85 -95.8 11.27 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.41 43.66 10.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 47' ' ' TYR . 10.3 m -121.37 169.8 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.423 ' O ' HD23 ' A' ' 51' ' ' LEU . 26.3 m-85 -102.74 143.67 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 50' ' ' PHE . 33.5 mt -138.16 166.99 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 29.0 p -112.45 146.6 38.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.511 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 2.0 tp -31.93 -38.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' CYS . 2.0 t70 -66.26 -71.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 57' ' ' GLY . 80.5 m -53.12 -55.78 21.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' CYS . 55.4 p -32.98 -35.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.65 -49.47 65.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.45 ' OG ' HG21 ' A' ' 108' ' ' THR . 0.9 OUTLIER -49.49 -48.42 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.685 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.791 ' HB3' HD11 ' A' ' 69' ' ' ILE . 26.8 m-70 -60.63 -48.9 79.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 10.9 mtp-105 -52.59 -37.58 58.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 m -62.46 -48.14 80.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 59' ' ' HIS . 12.0 mt -48.5 -53.28 18.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 65' ' ' HIS . . . 140.72 123.95 2.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 m -37.82 -28.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 63' ' ' GLY . 19.6 p80 -69.91 -45.45 67.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -67.83 -50.44 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 105.48 3.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -76.46 129.05 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.791 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.4 mm -109.92 136.3 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -146.16 139.41 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.4 m -83.73 151.92 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.666 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 52.1 p -95.18 -51.3 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -73.35 -65.29 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.66 -62.04 1.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.67 125.21 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 m -128.39 30.86 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -117.37 40.48 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.569 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.6 m95 -72.71 171.15 13.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' TRP . 8.3 m -113.91 137.34 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.809 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.547 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 37.2 m95 -36.55 -55.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -56.41 -45.84 80.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -66.91 -27.3 67.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.938 ' HB3' HD13 ' A' ' 19' ' ' ILE . 1.3 mm? -66.9 -50.35 62.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HD2' ' NE2' ' A' ' 87' ' ' GLN . 10.1 mmt-85 -62.35 -40.98 98.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.438 ' HA ' HG22 ' A' ' 88' ' ' VAL . 91.1 m -38.2 -49.45 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.429 ' C ' HD21 ' A' ' 23' ' ' LEU . 64.4 mmm -62.76 -34.78 77.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.938 ' OE1' HG23 ' A' ' 19' ' ' ILE . 9.3 mt-30 -73.46 -42.37 62.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 127' ' ' LEU . 23.3 m -79.86 15.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.81 -104.3 0.66 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.36 162.47 37.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.475 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -56.73 -65.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.902 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -33.48 -63.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -31.17 -64.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.48 84.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.095 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.0 t -38.65 -36.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.792 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 97' ' ' PHE . 66.7 m -102.06 -48.56 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 96' ' ' SER . 11.5 t80 -35.3 -53.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -55.08 -61.62 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -48.34 -54.21 14.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -45.46 -40.63 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 102' ' ' GLY . 20.5 m-70 -90.34 37.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 101' ' ' HIS . . . 36.06 48.78 1.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.548 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.4 m -133.77 81.25 1.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.775 0.322 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -101.01 42.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 43.0 m -71.37 122.38 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -79.98 -35.3 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.84 173.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.45 HG21 ' OG ' ' A' ' 58' ' ' SER . 73.2 m -115.04 -42.17 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -75.77 -8.16 56.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.12 -49.84 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.476 ' NZ ' ' CE1' ' A' ' 112' ' ' TYR . 17.9 tttm -50.95 -43.96 60.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.629 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 50.9 m-85 -81.39 -25.79 35.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -88.72 22.09 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 p -105.26 172.91 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -65.61 -56.2 13.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.79 -51.18 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.27 75.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.0 -58.75 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.1 mt -41.16 -36.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.496 ' CZ ' HD11 ' A' ' 124' ' ' ILE . 21.7 t80 -65.26 -63.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 120' ' ' TYR . 14.1 mtm105 -33.9 -63.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -45.83 -57.98 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -41.22 -54.12 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.496 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 29.3 mm -44.66 -48.1 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 19.9 ttpp -50.85 -57.95 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.0 t -51.06 -65.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.498 ' O ' HG11 ' A' ' 88' ' ' VAL . 18.3 mt -51.38 -34.32 33.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 125' ' ' LYS . . . -61.86 -46.16 90.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 94.2 p -58.58 -37.91 76.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -50.95 -72.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.06 -50.21 20.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -58.7 -75.68 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 134' ' ' LYS . 9.6 ttm105 -41.33 -43.54 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 133' ' ' ARG . 12.6 tptm -28.7 -71.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -125.47 45.69 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 44.21 -123.63 5.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.498 HG22 ' CD1' ' A' ' 80' ' ' TRP . 62.6 p -75.1 -45.66 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -49.81 89.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.799 HD12 ' HB2' ' A' ' 141' ' ' LEU . 0.6 OUTLIER -40.89 111.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.509 ' C ' ' O ' ' A' ' 139' ' ' LEU . 0.7 OUTLIER -28.56 -41.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.799 ' HB2' HD12 ' A' ' 139' ' ' LEU . 6.0 mt -42.93 150.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -85.9 46.84 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.2 t -84.56 147.99 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 51.8 p -120.8 147.54 45.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 144.37 176.82 18.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 162.17 43.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 66.8 m -120.51 176.78 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 23.3 t -116.22 161.0 19.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.408 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 p -48.38 -45.94 36.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.906 0.384 . . . . 0.0 110.819 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -47.25 150.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.09 67.11 1.42 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -97.94 123.44 41.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -116.95 149.04 40.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.21 44.11 94.35 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.62 94.27 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.21 -177.23 41.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.84 151.14 51.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.551 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.0 Cg_endo -69.75 153.33 69.1 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.669 2.246 . . . . 0.0 112.408 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.6 m -90.4 168.23 12.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -52.12 -55.77 18.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -50.12 -53.29 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.36 -48.61 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.874 HG23 HD21 ' A' ' 83' ' ' LEU . 35.5 mt -61.49 -43.2 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -48.58 -37.63 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 19' ' ' ILE . 1.5 m -64.55 -67.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.4 mp -33.27 -38.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.872 ' CZ ' HG22 ' A' ' 72' ' ' THR . 26.3 m-85 -82.44 -55.28 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -42.36 -40.33 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 3.7 tpm_? -61.15 -39.48 90.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.802 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 87' ' ' GLN . 53.6 mt -83.24 -59.34 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 23' ' ' LEU . 67.7 mtp180 -34.95 -48.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.0 p -39.3 -47.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 8.6 t -57.53 135.96 82.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.454 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.9 Cg_endo -69.78 3.91 2.51 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.728 2.285 . . . . 0.0 112.36 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 80.4 p -114.66 -4.49 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -113.47 -22.88 10.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -82.37 9.31 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 31' ' ' VAL . 15.2 m -134.62 117.43 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' GLY . 3.0 t -37.48 116.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -49.33 -34.69 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.22 -69.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.3 p -103.69 -46.75 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.19 11.25 3.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 52' ' ' CYS . . . -46.47 127.32 9.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -68.1 139.38 56.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.492 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 71.5 m-80 62.8 51.63 1.58 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.0 Cg_endo -69.85 79.67 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -43.21 -63.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.418 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 53.5 m95 -51.71 145.79 8.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.47 ' HB1' ' HE1' ' A' ' 86' ' ' MET . . . -152.59 135.28 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 5.0 t -92.06 99.35 12.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.549 HD13 ' CD ' ' A' ' 82' ' ' GLN . 14.7 mt -50.65 -51.11 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.634 HG22 ' HG2' ' A' ' 121' ' ' ARG . 74.8 m -39.72 -60.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.412 ' O ' HG13 ' A' ' 49' ' ' VAL . 87.0 m-85 -92.4 4.5 53.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' SER . . . 46.46 40.86 11.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 47' ' ' TYR . 9.1 m -115.07 165.54 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -100.6 132.97 45.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.6 mt -129.05 164.54 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 53' ' ' ILE . 29.9 p -109.56 151.38 26.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 54' ' ' ASP . 2.1 tp -32.07 -48.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.534 ' N ' HG23 ' A' ' 53' ' ' ILE . 22.8 t0 -59.87 -71.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 56' ' ' SER . 61.8 m -53.52 -58.78 5.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' CYS . 85.0 p -33.75 -37.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.3 -48.35 64.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' CYS . 4.1 m -52.43 -50.22 63.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.915 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.812 ' HB3' HD11 ' A' ' 69' ' ' ILE . 14.4 m-70 -57.51 -41.64 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.438 ' CG ' HG13 ' A' ' 69' ' ' ILE . 70.8 mtp180 -54.75 -37.93 66.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.7 t -68.43 -41.21 80.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.2 mt -44.3 -56.31 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 142.46 127.84 2.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -38.26 -31.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -75.48 -43.4 49.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.7 OUTLIER -66.9 -49.15 66.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.1 m -155.45 104.99 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -82.99 128.42 34.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.812 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.3 mm -106.65 152.65 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 21.3 mtt-85 -165.51 122.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 m -55.56 154.06 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.872 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 17.9 p -105.48 -38.79 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -81.35 -43.46 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.1 mt -81.97 -70.57 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.96 124.13 19.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.7 m -127.43 32.63 4.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.55 40.52 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.534 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 7.2 m95 -71.55 157.16 38.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -96.48 138.79 33.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.736 ' NE1' HG22 ' A' ' 137' ' ' THR . 66.8 m95 -41.82 -49.11 4.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -65.81 -46.91 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.549 ' CD ' HD13 ' A' ' 45' ' ' ILE . 17.4 mt-30 -61.72 -18.66 60.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.874 HD21 HG23 ' A' ' 16' ' ' ILE . 27.5 mt -78.53 -61.92 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.51 ' O ' HG22 ' A' ' 88' ' ' VAL . 17.7 mmt180 -49.45 -33.82 15.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 70.7 m -52.99 -38.24 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.47 ' HE1' ' HB1' ' A' ' 43' ' ' ALA . 69.2 mmm -66.8 -46.41 75.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.784 ' HA ' HD21 ' A' ' 23' ' ' LEU . 26.4 mt-30 -68.62 -59.61 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 84' ' ' ARG . 18.6 m -51.0 -16.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -107.38 -111.76 3.58 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.05 172.89 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 28' ' ' THR . 2.7 m-20 -73.37 -67.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -40.97 -52.74 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ALA . 66.8 m -34.38 -56.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.32 -48.68 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.038 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.6 t -41.39 -38.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.0 m -91.63 -46.98 7.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' PHE . 6.8 t80 -45.69 -54.63 7.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -51.36 -52.71 43.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' GLN . 15.5 t-160 -57.19 -54.74 43.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' HIS . 7.1 mm-40 -33.87 -48.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -71.33 -57.78 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.22 42.65 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 20.2 t -123.95 97.02 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.4 m -130.32 80.26 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.686 HG22 ' HB2' ' A' ' 111' ' ' LYS . 13.2 t -102.71 6.2 39.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.168 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 40.78 43.27 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.672 ' HB2' HG23 ' A' ' 105' ' ' THR . 0.9 OUTLIER -133.74 -172.96 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.523 HG23 ' CD2' ' A' ' 112' ' ' TYR . 61.8 m -127.26 -36.47 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.99 -3.12 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.8 -48.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.049 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.686 ' HB2' HG22 ' A' ' 105' ' ' THR . 30.3 tttm -60.98 -42.15 97.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.602 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 40.3 m-85 -80.54 -30.44 37.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -84.02 17.88 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 p -101.38 -175.48 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -76.13 -50.74 13.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.84 -48.84 30.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.08 -52.33 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -50.01 -60.9 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.1 mt -38.11 -38.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 121' ' ' ARG . 20.4 t80 -67.18 -63.27 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.634 ' HG2' HG22 ' A' ' 46' ' ' THR . 10.9 mtm105 -36.62 -61.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.58 -53.66 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -46.59 -51.05 16.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 124' ' ' ILE . 24.2 mm -50.62 -50.24 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -51.39 -39.28 56.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.8 m -71.25 -57.77 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 17.3 mt -55.34 -32.49 62.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.426 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -72.18 -20.84 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.1 m -78.05 -33.09 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.551 ' CG ' ' N ' ' A' ' 131' ' ' ALA . 5.4 pt20 -60.55 -50.73 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 130' ' ' GLN . . . -70.14 -33.17 71.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.0 m -74.18 -68.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.554 ' O ' ' C ' ' A' ' 134' ' ' LYS . 6.2 mtt-85 -40.45 -52.61 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.554 ' C ' ' O ' ' A' ' 133' ' ' ARG . 0.9 OUTLIER -25.03 -69.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.563 ' CG ' ' HB3' ' A' ' 138' ' ' ASP . 2.3 t-80 -130.59 -44.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.15 -126.28 8.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.736 HG22 ' NE1' ' A' ' 80' ' ' TRP . 13.9 p -41.81 -32.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.751 0.31 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.563 ' HB3' ' CG ' ' A' ' 135' ' ' HIS . 8.4 t70 -73.4 117.41 15.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.805 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 141' ' ' LEU . 10.7 mt -65.8 89.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.458 ' C ' ' O ' ' A' ' 139' ' ' LEU . 1.0 OUTLIER -32.99 -33.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.563 HD12 HD22 ' A' ' 139' ' ' LEU . 7.0 mt -44.11 -62.38 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.41 153.51 31.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.1 t -52.81 120.82 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 89.7 p -82.2 137.6 34.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -66.79 145.07 46.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 159.32 53.89 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.2 m -100.77 42.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.7 m -52.79 124.2 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.519 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -49.11 175.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.798 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -102.63 115.52 30.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.66 47.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 p -102.33 142.14 34.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.411 . . . . 0.0 110.809 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -116.66 155.29 29.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.22 88.96 0.23 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.564 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -118.86 173.41 6.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.4 110.44 3.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.565 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -49.65 152.57 2.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.549 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.0 Cg_endo -69.73 119.93 6.8 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -75.08 167.84 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -39.01 -67.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -37.79 -67.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -41.84 -53.29 3.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.443 HG23 HD11 ' A' ' 83' ' ' LEU . 68.0 mt -52.43 -39.12 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.46 -37.07 77.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -61.15 -37.44 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.658 HG23 ' NE2' ' A' ' 87' ' ' GLN . 53.9 mt -77.17 -27.54 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.484 ' CZ ' HG22 ' A' ' 72' ' ' THR . 8.6 m-85 -84.34 -28.46 27.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -61.94 -36.58 81.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HD2' HD13 ' A' ' 141' ' ' LEU . 12.1 mtp85 -68.05 -35.27 77.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' A' ' 87' ' ' GLN . 20.7 mt -76.28 -57.92 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -42.5 -50.68 5.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.4 t -38.79 -49.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -55.11 132.1 68.51 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.597 0.713 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 3.04 3.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.583 2.189 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.419 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 69.1 p -112.71 -11.52 13.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -105.6 -25.64 12.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -76.59 5.81 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.8 m -134.4 130.27 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.0 t -43.5 104.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -45.95 -22.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -74.08 -71.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.3 p -96.64 -45.91 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.84 8.29 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.16 127.21 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -68.77 146.01 53.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 37.0 m-80 62.11 51.78 1.93 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.683 0.754 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.5 Cg_endo -69.74 80.35 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.265 . . . . 0.0 112.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 p -41.58 -68.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.424 ' NE1' ' HA ' ' A' ' 53' ' ' ILE . 74.2 m95 -48.5 148.9 1.81 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.48 124.58 6.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -85.12 115.93 23.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.568 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -67.62 -50.04 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 13.3 m -43.66 -57.46 3.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CZ ' ' HD3' ' A' ' 121' ' ' ARG . 63.7 m-85 -90.48 1.52 56.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.35 51.7 11.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 m -132.41 164.71 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -99.83 145.3 27.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.8 mt -141.23 168.61 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.2 p -111.7 149.39 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.4 tp -35.1 -32.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' CYS . 25.7 t0 -69.48 -71.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLY . 84.2 m -56.21 -53.09 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' CYS . 57.1 p -33.24 -35.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -59.38 -48.86 83.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.424 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.687 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.2 m -51.08 -44.53 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.887 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.827 ' HB3' HD11 ' A' ' 69' ' ' ILE . 11.9 m-70 -64.3 -44.03 92.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -54.95 -40.23 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.9 m -61.72 -49.32 76.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 59' ' ' HIS . 59.0 mt -43.85 -60.74 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.451 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 148.82 131.37 2.0 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.534 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.8 m -46.85 -24.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.451 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 37.3 p-80 -75.79 -38.74 57.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.37 -40.86 57.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -157.49 108.57 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -84.62 125.4 32.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.827 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.6 mm -101.32 133.73 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -147.96 125.21 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.8 m -65.04 171.6 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.484 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 69.0 p -112.32 -37.04 5.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -81.82 -45.0 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.01 -68.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.43 114.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' HD11 ' A' ' 16' ' ' ILE . 25.3 p -116.85 -17.75 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -84.65 47.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.568 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.5 m95 -70.81 -175.13 1.03 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' TRP . 3.0 m -130.03 125.26 34.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.549 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 10.8 m95 -34.19 -44.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -64.2 -51.12 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.42 ' HB3' HG21 ' A' ' 45' ' ' ILE . 93.1 mt-30 -60.3 -25.53 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 16' ' ' ILE . 1.8 mm? -65.38 -70.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 87' ' ' GLN . 16.1 mmt-85 -43.59 -44.82 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.8 m -40.13 -37.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.1 mmm -70.05 -38.57 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.658 ' NE2' HG23 ' A' ' 19' ' ' ILE . 21.8 mt-30 -76.1 -64.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 128' ' ' ALA . 27.3 m -39.47 -27.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' GLN . . . -112.44 -117.0 3.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.55 161.29 12.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 28' ' ' THR . 5.4 m-20 -46.7 -68.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -41.35 -56.7 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.7 OUTLIER -33.02 -59.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.534 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -72.76 -41.83 64.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t -40.41 -36.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' PHE . 8.2 m -99.76 -51.42 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.8 t80 -34.09 -57.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -48.32 -53.74 16.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.04 -48.36 82.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -41.67 -51.25 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -62.96 -54.63 35.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.39 45.29 0.15 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.4 t -122.43 79.45 1.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.4 m -80.58 44.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.1 m -105.74 135.77 46.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 107' ' ' ASP . 50.8 m-20 -95.96 -40.71 9.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.572 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 11.9 m-20 -34.17 130.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.687 HG21 ' HB3' ' A' ' 58' ' ' SER . 64.2 m -74.71 -37.79 62.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.82 -8.58 58.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.8 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -114.05 -61.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -44.74 -38.25 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.456 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 60.0 m-85 -85.94 -22.81 27.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -87.7 21.57 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.0 p -113.79 165.45 12.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -42.33 95.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.08 -20.5 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.18 -44.33 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.545 ' CG ' ' N ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -62.37 -51.49 67.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 62.6 mt -45.82 -31.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 94' ' ' ALA . 18.2 t80 -74.66 -56.2 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.471 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 25.0 mtm180 -45.73 -61.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -46.46 -46.88 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -53.58 -52.77 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 mm -50.96 -35.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -68.93 -45.31 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.1 m -63.34 -47.75 80.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 130' ' ' GLN . 50.7 mt -66.35 -55.5 15.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.44 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -36.38 -36.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -64.92 -44.06 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -52.6 -37.34 58.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -86.0 -39.24 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 54.0 m -63.01 -65.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -44.13 -48.44 9.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.91 124.15 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 136' ' ' GLY . 45.1 m-70 38.32 38.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 33.8 -117.21 0.18 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 53.5 p -65.4 -50.36 65.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -43.03 101.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 139' ' ' LEU . 6.2 mp -43.23 114.1 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.906 ' CZ2' HD22 ' A' ' 141' ' ' LEU . 5.4 p90 -34.97 -45.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.906 HD22 ' CZ2' ' A' ' 140' ' ' TRP . 0.7 OUTLIER -86.9 151.05 23.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -100.07 111.68 23.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.8 t -98.69 -57.41 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.437 ' C ' ' HD3' ' A' ' 146' ' ' PRO . 2.8 t -131.27 165.76 22.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -111.8 62.84 0.29 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.437 ' HD3' ' C ' ' A' ' 144' ' ' SER . 53.0 Cg_endo -69.75 150.19 67.97 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.7 m -103.61 89.68 3.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 149' ' ' GLY . 16.8 t -130.62 152.4 50.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.78 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 148' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.188 -0.785 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -142.55 163.79 31.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.359 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -107.71 -57.16 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.12 -146.78 18.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -81.37 41.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -44.75 160.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.93 73.06 0.95 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.496 ' SD ' HG23 ' A' ' 137' ' ' THR . 19.2 ttp -115.29 124.54 51.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.801 0.334 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.32 103.81 1.01 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -48.23 156.42 0.78 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.74 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.75 140.35 42.49 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.686 2.258 . . . . 0.0 112.371 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.8 m -87.15 170.47 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -42.98 -62.44 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' H ' ' CD ' ' A' ' 14' ' ' GLN . 11.6 mp0 -45.61 -58.94 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -46.87 -53.49 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.039 HG23 HD21 ' A' ' 83' ' ' LEU . 46.1 mt -55.61 -49.08 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -45.03 -38.11 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' PHE . 21.6 m -60.52 -70.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 18' ' ' THR . 2.0 mp -32.45 -35.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.761 ' CZ ' HG22 ' A' ' 72' ' ' THR . 23.3 m-85 -80.95 -57.22 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' PHE . 7.2 pttp -36.71 -35.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -66.75 -43.91 82.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.828 HD21 ' HA ' ' A' ' 87' ' ' GLN . 23.1 mt -82.46 -54.02 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HG3' ' C ' ' A' ' 20' ' ' PHE . 17.3 mtm180 -38.83 -50.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.7 t -46.77 -45.29 19.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.656 HG12 ' H ' ' A' ' 28' ' ' THR . 17.5 t -50.41 127.86 23.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.716 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 1.56 4.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.656 ' H ' HG12 ' A' ' 26' ' ' VAL . 15.4 p -112.18 -9.3 13.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.412 ' HA ' ' CG ' ' A' ' 91' ' ' ASN . 97.4 m-20 -109.16 -22.76 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 17.2 ptpt -79.07 12.47 2.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 31' ' ' VAL . 28.0 m -132.47 120.91 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 34' ' ' ASP . 9.4 t -39.68 103.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.613 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -41.93 -27.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 2.0 t70 -68.9 -72.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.84 -47.86 5.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.46 11.91 3.58 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.382 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.19 123.51 9.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -69.03 135.46 50.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 6.1 m120 71.04 50.84 0.33 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.8 80.12 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -41.76 -51.48 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.8 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -63.42 146.57 53.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.72 130.91 14.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.061 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -95.66 116.93 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.79 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.552 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 9.5 mt -71.35 -41.82 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.517 HG22 ' CD1' ' A' ' 47' ' ' TYR . 43.9 m -44.8 -54.63 6.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.797 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 m-85 -103.63 22.63 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 32.0 51.37 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.529 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 47' ' ' TYR . 12.7 m -131.41 166.4 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.81 151.52 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 29.1 mt -146.24 169.72 18.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.5 p -114.77 147.28 39.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.5 tp -32.3 -40.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' CYS . 76.1 m-20 -63.11 -66.4 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 56' ' ' SER . 74.0 m -60.9 -56.94 15.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.8 p -32.54 -38.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.95 -48.84 70.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.483 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.0 m -51.19 -47.14 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.79 ' HB3' HD11 ' A' ' 69' ' ' ILE . 14.1 m-70 -60.62 -46.04 91.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -54.81 -37.45 66.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -61.35 -48.78 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.545 HD13 HD23 ' A' ' 66' ' ' LEU . 21.4 mt -47.46 -58.45 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 146.65 123.0 1.44 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.46 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' GLY . 31.7 m -36.76 -32.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.103 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' GLY . 22.7 p80 -66.54 -46.64 75.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -67.36 -48.25 68.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.99 105.29 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -78.4 132.84 37.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.79 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.1 mm -113.78 140.26 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -148.66 143.21 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -83.68 155.83 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.761 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 40.4 p -103.69 -35.3 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.081 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.7 -42.11 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mp -87.05 -65.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.28 114.67 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -124.1 36.08 4.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -122.22 33.27 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.552 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 13.8 m95 -66.62 151.49 47.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' TRP . 16.4 m -101.4 139.13 37.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.557 ' CZ2' ' HB3' ' A' ' 11' ' ' PRO . 45.6 m95 -36.31 -38.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -67.65 -58.52 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.23 -25.7 61.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.039 HD21 HG23 ' A' ' 16' ' ' ILE . 21.1 mt -69.06 -65.88 0.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.458 ' O ' HG22 ' A' ' 88' ' ' VAL . 32.7 mmt-85 -52.92 -35.13 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.8 m -49.5 -32.3 11.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 87.8 mmm -72.03 -40.93 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.788 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.828 ' HA ' HD21 ' A' ' 23' ' ' LEU . 21.6 mt-30 -71.35 -61.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.477 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 28.2 m -46.17 -20.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 87' ' ' GLN . . . -110.59 -102.75 2.71 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.92 154.4 30.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.486 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -45.89 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -32.8 -59.66 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -32.86 -61.66 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.755 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' SER . . . -71.46 -45.57 62.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 94' ' ' ALA . 46.5 t -34.73 -35.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' PHE . 13.3 m -105.52 -49.38 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.9 t80 -34.12 -38.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.05 -53.35 31.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 96' ' ' SER . 3.4 t-160 -67.78 -53.31 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' CD ' ' HA ' ' A' ' 97' ' ' PHE . 7.9 pt20 -45.39 -44.58 12.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.44 ' ND1' ' HB2' ' A' ' 116' ' ' ALA . 11.1 t-80 -62.04 -59.14 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.59 42.71 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 38.2 t -121.49 95.42 4.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.0 p -96.47 80.89 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.4 m -139.9 134.96 32.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 107' ' ' ASP . 20.2 t-20 -91.67 -46.81 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -36.68 132.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.483 HG21 ' HB3' ' A' ' 58' ' ' SER . 94.9 m -75.88 -38.31 57.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 109' ' ' ASN . 9.7 t-20 -75.25 -12.33 60.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.6 -59.44 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -43.85 -44.09 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.546 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 35.5 m-85 -78.06 -30.36 49.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -83.86 22.45 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 p -104.59 177.08 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -70.13 -53.81 15.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.44 ' HB2' ' ND1' ' A' ' 101' ' ' HIS . . . -45.6 -39.13 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.86 -52.51 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.66 -61.05 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.6 mt -37.25 -42.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.431 ' O ' ' C ' ' A' ' 121' ' ' ARG . 59.4 t80 -61.45 -65.5 0.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.471 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 29.5 mtm180 -35.02 -64.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -45.24 -53.31 8.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -46.4 -48.32 18.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 40.3 mm -52.71 -40.63 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -63.56 -39.44 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 t -68.54 -57.35 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 17.2 mt -58.44 -43.54 88.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.15 -44.72 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 54.5 p -54.16 -42.26 69.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -52.93 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.94 39.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 86.9 m -62.14 -75.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -40.84 -52.8 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.403 ' O ' ' ND1' ' A' ' 135' ' ' HIS . 0.8 OUTLIER -46.05 143.12 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.634 ' CE1' ' HB3' ' A' ' 140' ' ' TRP . 5.6 p80 39.15 32.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 32.69 -131.87 0.25 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.496 HG23 ' SD ' ' A' ' 8' ' ' MET . 45.5 p -68.5 -36.33 78.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 111.139 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' THR . 11.4 t70 -36.19 107.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -60.07 108.9 0.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.634 ' HB3' ' CE1' ' A' ' 135' ' ' HIS . 2.5 p90 -55.32 -46.94 76.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.535 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 6.0 mt -61.02 92.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -49.78 169.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.798 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.9 m -131.36 123.45 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.4 m -39.39 -46.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -73.65 164.26 54.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.392 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -175.6 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.1 m -65.19 164.44 13.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 16.6 m 47.29 42.04 13.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.506 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -128.69 -55.29 1.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -103.67 107.33 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -62.8 2.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -101.99 -58.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 m -97.42 133.8 41.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.02 -57.97 0.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.446 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.662 ' O ' HG21 ' A' ' 137' ' ' THR . 2.8 ttp -43.09 -40.33 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.502 ' O ' ' NE1' ' A' ' 80' ' ' TRP . . . 76.59 130.9 0.41 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.53 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.08 149.02 69.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.523 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.82 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.6 m -72.5 166.75 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -42.53 -60.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -41.26 -63.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.72 -55.04 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.538 HG23 HD11 ' A' ' 83' ' ' LEU . 66.9 mt -50.67 -33.58 11.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.29 -38.11 63.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -64.97 -31.66 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.799 ' O ' HD13 ' A' ' 23' ' ' LEU . 15.7 mt -80.44 -29.53 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.84 ' CZ ' HG22 ' A' ' 72' ' ' THR . 6.9 m-85 -81.9 -37.77 26.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -52.11 -35.23 47.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -73.79 -27.28 61.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.849 HD11 ' HG2' ' A' ' 87' ' ' GLN . 10.8 mp -83.2 -55.72 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' NE ' ' HB3' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -45.9 -49.73 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -39.46 -49.29 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 28' ' ' THR . 6.1 t -52.16 130.05 40.95 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.664 0.745 . . . . 0.0 111.181 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.86 2.52 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.478 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 72.1 p -112.67 -17.38 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -100.28 -23.71 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -78.03 7.12 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 6.2 m -137.35 125.95 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.1 t -42.84 112.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -51.2 -25.57 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -71.69 -71.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.8 p -97.28 -46.63 6.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.86 10.97 5.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.63 126.87 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -68.49 144.27 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.489 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.4 m-20 62.19 51.28 1.78 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.8 Cg_endo -69.68 80.26 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.409 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 p -42.76 -56.83 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 76.2 m95 -59.2 145.23 43.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB1' ' CE ' ' A' ' 86' ' ' MET . . . -151.86 130.82 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 t -90.5 115.85 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.808 HD13 ' CD ' ' A' ' 82' ' ' GLN . 16.5 mt -70.07 -49.3 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 99.3 m -41.45 -50.72 3.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 49' ' ' VAL . 66.4 m-85 -100.89 4.34 42.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.09 45.13 20.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 47' ' ' TYR . 15.5 m -123.59 165.82 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.327 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -100.4 142.92 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.1 mt -139.53 172.93 12.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' ILE . 27.7 p -118.84 149.14 42.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 54' ' ' ASP . 2.2 tp -31.37 -46.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.502 ' N ' HG23 ' A' ' 53' ' ' ILE . 1.7 m-20 -58.91 -68.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.6 m -59.64 -58.32 9.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' CYS . 65.7 p -31.78 -37.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -56.61 -49.65 68.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' CYS . 2.0 m -48.27 -50.97 27.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.806 ' HB3' HD11 ' A' ' 69' ' ' ILE . 21.3 m-70 -57.39 -49.27 76.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.816 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 12.7 mtp-105 -52.68 -36.03 56.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -64.65 -47.88 76.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.657 HD13 HD23 ' A' ' 66' ' ' LEU . 16.7 mt -46.92 -60.77 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' HIS . . . 147.16 127.02 1.74 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.3 m -39.33 -27.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' GLY . 32.9 p80 -68.7 -44.2 74.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.657 HD23 HD13 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -72.19 -49.55 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -152.54 117.37 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -88.44 137.95 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.806 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.1 mm -117.39 135.81 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.106 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -147.08 141.46 26.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -82.91 144.43 30.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.84 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 66.6 p -93.26 -39.95 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.73 -45.48 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 mt -78.79 -67.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -71.65 121.74 19.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 m -122.76 31.77 5.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -121.59 45.62 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.565 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 10.3 m95 -73.81 -177.85 2.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' TRP . 1.8 m -123.45 131.18 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.523 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 15.1 m95 -33.75 -49.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -62.72 -47.11 85.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.808 ' CD ' HD13 ' A' ' 45' ' ' ILE . 14.7 mt-30 -62.47 -26.2 68.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.538 HD11 HG23 ' A' ' 16' ' ' ILE . 3.8 mm? -65.83 -60.78 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.707 HH11 ' HB1' ' A' ' 131' ' ' ALA . 8.9 mmt85 -55.63 -38.99 70.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.421 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.2 m -40.73 -45.2 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.492 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 71.5 mmm -64.04 -34.44 78.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.849 ' HG2' HD11 ' A' ' 23' ' ' LEU . 78.3 mt-30 -72.85 -42.71 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 9.7 m -81.34 19.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.34 -101.1 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.23 149.39 15.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.412 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 28' ' ' THR . 3.4 m-20 -52.76 -67.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -33.92 -64.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -30.35 -64.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.47 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 t -39.12 -34.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' PHE . 20.3 m -103.99 -50.12 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.2 t80 -33.53 -53.15 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.48 ' CZ ' ' HE3' ' A' ' 111' ' ' LYS . 24.7 m-85 -49.99 -54.5 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -63.28 -49.97 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -39.8 -51.91 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -63.96 -52.81 57.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 128.9 53.08 0.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.01 87.07 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.2 p -86.41 43.17 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 85.6 m -95.75 138.62 33.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 107' ' ' ASP . 73.9 m-20 -97.74 -46.19 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.51 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 1.3 m-20 -34.13 131.53 0.29 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.498 HG23 ' CE2' ' A' ' 112' ' ' TYR . 86.7 m -75.29 -34.46 61.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 19.4 t-20 -78.14 -13.42 59.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -108.22 -58.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 98' ' ' PHE . 37.3 tttp -41.91 -44.03 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.632 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 17.0 m-85 -78.93 -30.78 44.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.9 m-80 -84.74 17.93 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.0 p -100.44 166.18 11.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -63.92 -47.6 79.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.72 -36.19 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.53 -51.04 55.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' LEU . 23.9 mt-30 -52.7 -61.21 2.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 118' ' ' GLN . 76.5 mt -34.35 -43.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.738 ' CE1' HD11 ' A' ' 124' ' ' ILE . 19.7 t80 -60.56 -64.77 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.482 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.0 mtm105 -37.65 -63.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -45.67 -53.31 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -50.35 -42.22 52.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.738 HD11 ' CE1' ' A' ' 120' ' ' TYR . 47.3 mm -56.47 -33.71 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -70.2 -52.42 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.9 t -54.23 -40.8 68.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.474 HD23 ' OE1' ' A' ' 130' ' ' GLN . 52.7 mt -78.2 -54.46 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.87 -42.52 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 p -58.12 -40.32 80.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.474 ' OE1' HD23 ' A' ' 127' ' ' LEU . 38.7 mt-30 -53.71 -71.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.707 ' HB1' HH11 ' A' ' 84' ' ' ARG . . . -46.6 -47.15 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 84' ' ' ARG . 96.7 m -60.72 -72.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -43.25 -50.96 6.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.81 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -45.98 120.87 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 136' ' ' GLY . 19.5 m170 55.03 44.36 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 32.89 -133.54 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.662 HG21 ' O ' ' A' ' 8' ' ' MET . 60.1 p -86.99 39.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.293 . . . . 0.0 111.087 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 140' ' ' TRP . 7.7 t70 -108.27 124.42 50.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.815 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 140' ' ' TRP . 4.0 mm? -55.62 86.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.754 ' CZ2' HD23 ' A' ' 141' ' ' LEU . 10.8 p90 -29.18 -52.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.754 HD23 ' CZ2' ' A' ' 140' ' ' TRP . 2.6 pp -92.32 148.95 21.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -103.46 163.15 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.8 m -76.82 89.03 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 29.9 p -44.43 117.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 94.21 169.66 37.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.545 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 147' ' ' SER . 54.1 Cg_endo -69.66 -32.85 18.18 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.764 2.31 . . . . 0.0 112.368 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 146' ' ' PRO . 42.7 m -36.91 105.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.6 p -154.44 145.81 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.457 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m -158.61 125.49 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -73.34 -45.85 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.46 54.84 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 55.1 42.29 30.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 t -96.59 97.04 9.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.54 84.86 1.82 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.527 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.23 143.6 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.83 135.97 29.42 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.15 153.5 66.36 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.507 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.75 130.92 20.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -70.73 170.41 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -54.07 -59.53 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -41.14 -58.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -49.48 -53.73 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.851 HG23 HD21 ' A' ' 83' ' ' LEU . 58.1 mt -53.99 -35.01 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.26 -30.82 67.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 8.2 m -68.36 -49.35 60.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 83' ' ' LEU . 83.9 mt -61.01 -28.58 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -83.41 -49.26 9.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.2 pttp -48.79 -38.09 21.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -61.74 -35.59 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.591 HD21 ' HA ' ' A' ' 87' ' ' GLN . 80.0 mt -87.71 -60.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' LEU . 18.4 mtp180 -35.23 -47.04 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -41.44 -47.86 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.499 HG12 ' H ' ' A' ' 28' ' ' THR . 15.5 t -53.72 131.66 56.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 111.187 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 7.48 1.0 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.499 ' H ' HG12 ' A' ' 26' ' ' VAL . 16.5 p -117.18 -12.06 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -105.45 -23.13 12.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -80.22 9.15 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 16.5 m -135.08 118.55 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' GLY . 15.8 t -34.56 107.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.15 -26.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.2 -71.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.6 p -98.52 -44.99 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 121.94 11.44 5.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.22 122.36 8.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -64.88 141.74 58.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.542 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 54.2 m-20 64.68 48.35 0.72 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.4 Cg_endo -69.65 81.32 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.433 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 p -43.51 -68.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.469 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 71.6 m95 -45.6 145.41 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.32 130.26 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.3 t -92.01 114.51 27.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.556 HD13 ' CD ' ' A' ' 82' ' ' GLN . 17.1 mt -66.66 -46.25 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.467 HG21 ' HD2' ' A' ' 121' ' ' ARG . 89.5 m -42.12 -61.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.65 ' O ' HG13 ' A' ' 49' ' ' VAL . 51.9 m-85 -94.68 15.64 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.69 54.27 1.09 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 47' ' ' TYR . 5.9 m -131.28 165.19 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 111.07 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -98.95 143.75 28.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -139.14 168.83 18.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.3 p -114.37 149.19 36.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.469 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 5.3 tp -32.11 -43.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' N ' HG23 ' A' ' 53' ' ' ILE . 10.9 t70 -61.43 -71.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' GLY . 77.8 m -55.84 -56.46 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 55' ' ' CYS . 60.6 p -33.6 -35.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.79 -48.24 83.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.575 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.1 m -52.21 -44.97 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.805 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.873 ' HB3' HD11 ' A' ' 69' ' ' ILE . 11.1 m-70 -61.42 -47.59 85.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -48.99 -38.06 22.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -64.71 -47.48 78.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.751 ' HB3' HD13 ' A' ' 66' ' ' LEU . 76.1 mt -44.87 -47.25 11.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 129.1 133.55 3.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.551 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.5 m -46.21 -25.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.4 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 34.2 p-80 -77.03 -35.31 57.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.7 tt -79.63 -39.21 32.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -162.26 105.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -79.94 127.79 32.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.873 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.8 mm -104.14 147.24 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -163.07 123.79 2.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.4 m -60.55 -176.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.1 p -118.59 -32.25 4.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.06 -53.6 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.28 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.77 117.7 5.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.0 p -124.37 -20.04 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -81.32 40.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.465 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 6.9 m95 -65.01 176.03 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' TRP . 15.2 m -118.37 124.72 48.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.57 ' NE1' HG22 ' A' ' 137' ' ' THR . 74.4 m95 -33.38 -53.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.66 -49.76 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.556 ' CD ' HD13 ' A' ' 45' ' ' ILE . 61.5 mt-30 -54.12 -45.22 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.851 HD21 HG23 ' A' ' 16' ' ' ILE . 8.3 mt -53.57 -59.4 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.882 HH11 ' HB1' ' A' ' 131' ' ' ALA . 11.5 mmt85 -45.98 -48.99 16.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.524 ' HA ' HG22 ' A' ' 88' ' ' VAL . 80.4 m -40.42 -32.08 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 86.0 mmm -72.32 -42.75 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.591 ' HA ' HD21 ' A' ' 23' ' ' LEU . 26.0 mt-30 -72.27 -38.16 68.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 85' ' ' CYS . 14.3 m -83.12 23.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.1 -92.45 0.24 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.36 164.27 38.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.524 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.14 -64.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -43.91 -49.8 8.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.055 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' ALA . 1.8 m -34.36 -54.23 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -70.48 -51.12 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.7 t -35.76 -36.94 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' PHE . 65.7 m -97.74 -54.89 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' SER . 43.1 t80 -34.53 -49.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 117' ' ' ALA . 27.7 m-85 -61.16 -59.93 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -50.42 -56.8 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -41.96 -41.96 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.546 ' NE2' HD12 ' A' ' 119' ' ' LEU . 2.4 m-70 -66.83 -58.14 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.28 41.7 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.474 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 45.2 t -115.67 82.94 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.2 t -80.72 46.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 45.2 m -111.09 136.01 50.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.181 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 107' ' ' ASP . 39.3 m-80 -99.87 -42.6 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 1.5 m-20 -34.83 136.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.575 HG21 ' HB3' ' A' ' 58' ' ' SER . 87.6 m -76.29 -38.62 55.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -77.02 -7.71 56.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.564 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -113.59 -59.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 37.6 tttp -45.56 -39.79 7.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 46.9 m-85 -83.69 -27.91 28.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -87.49 21.03 2.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.5 p -106.81 175.67 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -67.61 -53.33 29.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.05 16.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.533 ' HA ' ' CZ ' ' A' ' 98' ' ' PHE . . . -62.63 -53.82 48.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 119' ' ' LEU . 12.0 mm100 -50.11 -63.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.546 HD12 ' NE2' ' A' ' 101' ' ' HIS . 43.2 mt -35.94 -38.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.593 ' CE1' HD11 ' A' ' 124' ' ' ILE . 24.5 t80 -61.8 -62.64 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.467 ' HD2' HG21 ' A' ' 46' ' ' THR . 12.6 mtm105 -38.67 -65.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -47.42 -53.86 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.22 -49.83 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 120' ' ' TYR . 22.0 mm -55.92 -40.98 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -57.13 -40.15 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 m -68.19 -68.41 0.39 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.457 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 7.9 mt -47.25 -41.21 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.475 ' N ' HG21 ' A' ' 88' ' ' VAL . . . -58.88 -38.47 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 9.8 t -63.72 -33.12 74.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.39 -59.86 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.882 ' HB1' HH11 ' A' ' 84' ' ' ARG . . . -51.06 -53.24 35.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 133' ' ' ARG . 6.9 m -61.48 -59.55 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 132' ' ' THR . 4.3 tpt180 -33.38 -60.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -53.06 -60.41 3.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 140' ' ' TRP . 21.4 m-70 -116.75 84.35 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -49.97 -79.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.439 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.57 HG22 ' NE1' ' A' ' 80' ' ' TRP . 30.4 p -102.41 40.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 111.079 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -138.19 177.11 8.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 140' ' ' TRP . 48.0 mt -111.57 90.44 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.612 ' CH2' HD11 ' A' ' 141' ' ' LEU . 8.2 p90 -34.06 -43.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.612 HD11 ' CH2' ' A' ' 140' ' ' TRP . 4.9 mp -37.38 140.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -53.82 -48.05 70.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.1 t -85.32 105.97 16.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -110.04 81.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 65.31 129.48 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -2.48 10.25 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 83.5 p -82.16 -49.45 10.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.2 m -129.14 149.65 50.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.196 -0.78 . . . . 0.0 112.419 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -53.29 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -80.32 132.08 35.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.4 -147.56 4.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -99.31 154.34 18.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.935 0.398 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -126.51 116.51 21.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.12 62.69 6.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.74 -46.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.02 -162.29 48.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -123.86 155.58 66.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.3 Cg_endo -69.72 150.48 68.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.405 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.8 m -101.35 165.62 11.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -58.04 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.7 -56.21 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -55.0 -48.41 73.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.848 HG23 HD21 ' A' ' 83' ' ' LEU . 64.7 mt -56.62 -46.62 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.1 mt -50.63 -35.54 30.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.458 HG21 ' CD2' ' A' ' 139' ' ' LEU . 98.1 m -62.4 -68.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.203 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.572 HD13 HD13 ' A' ' 83' ' ' LEU . 2.2 mp -36.84 -33.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.696 ' CZ ' HG22 ' A' ' 72' ' ' THR . 16.4 m-85 -82.65 -53.38 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -44.6 -24.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -77.26 -43.56 32.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.925 HD21 ' HA ' ' A' ' 87' ' ' GLN . 31.9 mt -81.69 -53.8 5.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' SER . 61.5 mtm180 -45.35 -49.78 12.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.789 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ARG . 5.2 t -36.63 -51.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 26' ' ' VAL . 4.9 t -51.58 132.51 35.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 7.65 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.68 2.254 . . . . 0.0 112.38 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -115.12 -13.57 11.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 92.1 m-20 -106.81 -20.74 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -81.78 12.43 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' CYS . 4.7 m -134.03 117.16 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' VAL . 18.3 t -34.0 98.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -39.88 -27.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' CYS . 3.4 t0 -69.22 -71.48 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.53 -44.81 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 125.46 6.44 6.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.87 124.6 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.065 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -69.94 144.74 52.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.6 m-20 63.0 48.68 1.03 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.752 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.65 80.12 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.358 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 m -41.26 -64.05 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -47.96 138.99 8.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.38 126.03 17.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 t -93.26 110.82 22.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.573 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -65.2 -40.06 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 89.6 m -46.2 -60.28 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.863 ' O ' HG13 ' A' ' 49' ' ' VAL . 22.6 m-85 -95.51 17.19 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.34 47.84 0.82 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.863 HG13 ' O ' ' A' ' 47' ' ' TYR . 23.2 m -127.88 178.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 111.121 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.547 ' O ' HD23 ' A' ' 51' ' ' LEU . 61.1 m-85 -109.79 149.98 29.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 50' ' ' PHE . 24.1 mt -146.48 172.88 12.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' ILE . 22.8 p -117.89 150.13 39.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.7 tp -33.55 -39.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.04 -71.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 56' ' ' SER . 78.4 m -55.96 -56.46 20.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.482 ' C ' ' O ' ' A' ' 55' ' ' CYS . 60.7 p -31.08 -43.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.507 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -53.6 -48.9 59.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.507 ' HB3' HG21 ' A' ' 108' ' ' THR . 1.9 m -48.09 -43.15 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.747 ' HB3' HD11 ' A' ' 69' ' ' ILE . 16.7 m-70 -66.67 -45.15 79.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.507 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 41.4 mtm180 -50.19 -45.03 53.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 t -57.43 -47.11 82.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.699 ' HB3' HD13 ' A' ' 66' ' ' LEU . 76.2 mt -46.15 -47.89 17.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.417 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 133.4 129.77 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 m -43.42 -26.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.417 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 35.6 p-80 -75.86 -39.77 55.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.699 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.8 tt -73.29 -42.19 62.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 105.0 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -80.42 128.21 33.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.747 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.7 mm -108.63 147.91 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 78' ' ' TRP . 26.2 mtp180 -157.19 125.54 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -65.0 161.81 17.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.696 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 28.1 p -105.02 -33.59 8.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -83.56 -62.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.34 -68.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.22 118.88 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 m -130.41 34.78 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -123.82 38.26 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.573 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 15.1 m95 -73.13 142.5 47.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.14 149.79 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.578 ' CZ2' ' HA ' ' A' ' 137' ' ' THR . 9.8 m95 -52.15 -36.67 52.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.19 -47.16 52.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 90.4 mt-30 -61.72 -41.99 98.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.848 HD21 HG23 ' A' ' 16' ' ' ILE . 44.7 mt -53.73 -54.14 42.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 34.5 mmt-85 -55.3 -41.64 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 82' ' ' GLN . 81.1 m -45.1 -30.06 1.03 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.555 ' C ' HD11 ' A' ' 23' ' ' LEU . 82.8 mmm -76.0 -37.85 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.925 ' HA ' HD21 ' A' ' 23' ' ' LEU . 20.0 mt-30 -73.27 -54.81 7.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.474 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 27.9 m -56.34 -12.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.88 -129.17 4.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.71 166.96 11.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -62.63 -74.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -37.55 -50.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' ALA . 38.0 m -35.2 -52.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.89 -46.88 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -38.09 -41.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.9 t -90.74 -49.91 6.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -40.39 -50.45 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -55.25 -59.03 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 100' ' ' GLN . 2.9 t-160 -55.94 -59.71 4.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 99' ' ' HIS . 14.1 mt-30 -37.51 -44.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.467 ' CG ' ' HB2' ' A' ' 116' ' ' ALA . 32.4 t60 -67.53 -56.49 9.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 128.3 49.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 20.0 t -103.53 -52.47 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.6 t 40.11 43.71 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.777 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.4 m -108.17 119.39 39.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -77.48 -35.77 53.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.28 174.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.507 HG21 ' HB3' ' A' ' 58' ' ' SER . 98.4 m -115.65 -45.78 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -71.76 -4.53 28.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.94 -53.6 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -51.45 -40.59 59.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.47 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 61.7 m-85 -83.73 -27.51 28.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -87.2 20.56 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.5 p -102.44 170.91 7.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.588 ' NE ' HD21 ' A' ' 119' ' ' LEU . 18.1 tpt180 -62.8 -56.26 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.467 ' HB2' ' CG ' ' A' ' 101' ' ' HIS . . . -43.16 -48.08 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.066 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.93 -50.28 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -58.38 -60.58 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.588 HD21 ' NE ' ' A' ' 115' ' ' ARG . 49.2 mt -38.8 -37.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -65.13 -60.9 2.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.49 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.6 mtm105 -39.5 -64.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -45.64 -51.84 11.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -50.85 -48.94 59.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.7 mm -50.95 -44.87 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -57.94 -45.73 86.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 m -57.72 -67.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.474 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 29.0 mt -46.85 -51.42 16.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.44 -43.66 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.7 m -53.94 -46.92 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -51.11 -57.49 8.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.409 ' HB1' ' HD2' ' A' ' 84' ' ' ARG . . . -64.59 -37.24 86.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 133' ' ' ARG . 86.6 m -62.71 -67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 132' ' ' THR . 27.6 ttt85 -35.23 -54.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 135' ' ' HIS . 11.7 tptt -44.08 166.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.498 ' C ' ' O ' ' A' ' 134' ' ' LYS . 9.8 m170 -30.7 98.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.469 ' O ' ' C ' ' A' ' 137' ' ' THR . . . -57.47 -108.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.55 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.578 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 71.6 p -32.63 -44.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.719 0.295 . . . . 0.0 111.108 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 139' ' ' LEU . 43.0 m-20 -73.71 89.26 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 138' ' ' ASP . 4.5 mp -32.7 110.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.523 ' CZ2' ' OE1' ' A' ' 87' ' ' GLN . 20.3 p90 -37.61 -49.84 1.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.512 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -77.64 170.62 16.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.07 104.55 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 27.0 t -73.21 108.15 5.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 51.6 p -101.06 139.11 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 131.1 -167.84 22.24 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 178.19 4.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 0.0 112.3 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 27.8 p -76.3 83.83 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.792 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.3 m -160.12 148.9 17.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . 0.419 ' C ' ' HB ' ' A' ' 137' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.443 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -141.39 173.83 11.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.918 0.39 . . . . 0.0 110.815 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -111.28 177.92 4.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.6 169.04 13.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -59.02 165.9 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.9 p -117.21 43.13 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.47 130.73 6.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.555 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.467 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -135.73 145.02 46.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 8' ' ' MET . . . 33.03 67.71 0.19 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.427 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.24 141.35 6.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.05 3.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.658 2.238 . . . . 0.0 112.393 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -67.49 164.96 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -44.69 -63.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -39.71 -56.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' HD12 ' A' ' 19' ' ' ILE . 6.4 m-20 -50.8 -50.29 56.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.891 HG23 HD11 ' A' ' 83' ' ' LEU . 38.4 mt -59.77 -43.32 91.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.3 mt -50.68 -35.86 32.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' PHE . 96.3 m -64.54 -69.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.71 HG23 ' CG ' ' A' ' 87' ' ' GLN . 4.4 mp -32.99 -36.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.692 ' CZ ' HG22 ' A' ' 72' ' ' THR . 23.2 m-85 -82.53 -54.45 5.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -39.91 -29.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' PHE . 37.0 ttt180 -78.27 -46.5 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -73.97 -59.68 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 17.6 mtm105 -40.62 -48.35 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 t -43.79 -41.34 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG12 ' H ' ' A' ' 28' ' ' THR . 24.0 t -58.01 134.66 83.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.648 0.737 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.434 ' HD2' HG13 ' A' ' 26' ' ' VAL . 53.9 Cg_endo -69.78 10.35 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.494 ' H ' HG12 ' A' ' 26' ' ' VAL . 48.2 p -121.99 -12.15 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.455 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 97.7 m-20 -104.66 -25.83 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -75.3 5.77 5.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.578 HG12 ' HG3' ' A' ' 38' ' ' LYS . 18.2 m -133.43 128.67 55.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' GLY . 16.1 t -44.15 112.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -52.67 -28.51 21.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.83 -67.87 0.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.9 p -101.21 -49.15 4.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 129.4 9.14 3.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.5 121.83 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.578 ' HG3' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.28 141.12 54.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 47.1 t30 70.36 50.92 0.37 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.689 0.757 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.5 Cg_endo -69.77 81.33 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.386 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.6 p -44.48 -48.54 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 75.4 m95 -70.27 150.74 46.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.26 128.01 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -91.95 111.44 22.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.558 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 15.7 mt -64.14 -45.41 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -40.86 -59.67 1.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.582 ' O ' HG13 ' A' ' 49' ' ' VAL . 80.7 m-85 -96.01 14.13 24.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.54 48.18 2.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 47' ' ' TYR . 5.2 m -126.84 168.58 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 29' ' ' ASN . 44.4 m-85 -99.99 143.56 30.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 39.0 mt -138.61 165.62 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.0 p -111.73 149.53 31.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.48 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 3.2 tp -35.55 -31.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' CYS . 8.7 t70 -71.36 -70.75 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' SER . 84.7 m -54.82 -53.71 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' CYS . 69.6 p -33.21 -46.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.77 -47.83 30.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.808 ' HB3' HG21 ' A' ' 108' ' ' THR . 1.8 m -52.63 -45.11 66.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.833 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.89 ' HB3' HD11 ' A' ' 69' ' ' ILE . 17.7 m-70 -62.24 -48.24 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -50.74 -31.73 17.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t -69.69 -51.0 38.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.904 ' HB3' HD13 ' A' ' 66' ' ' LEU . 42.0 mt -45.05 -41.32 7.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 124.59 129.99 3.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -42.2 -29.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.497 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 41.4 p-80 -70.6 -39.18 73.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.904 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.7 tt -74.13 -43.46 57.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -157.11 105.06 2.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -76.57 132.29 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.89 HD11 ' HB3' ' A' ' 59' ' ' HIS . 4.9 mm -107.13 153.18 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 9.4 mtp85 -168.47 124.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.8 m -62.82 -176.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.692 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 20.7 p -119.66 -47.94 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.11 -49.65 16.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.34 -65.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.59 111.32 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p -118.83 -14.64 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -79.22 43.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.558 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 10.0 m95 -72.6 -174.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.624 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -129.71 148.49 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.4 ' HE1' HG22 ' A' ' 137' ' ' THR . 23.9 m95 -52.81 -35.05 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -74.46 -41.67 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -67.99 -30.44 69.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.891 HD11 HG23 ' A' ' 16' ' ' ILE . 3.7 mm? -63.68 -61.72 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 12.5 mmt180 -54.76 -36.69 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 m -45.53 -47.22 14.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.4 mmm -63.08 -38.72 92.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.71 ' CG ' HG23 ' A' ' 19' ' ' ILE . 17.3 mt-30 -69.44 -60.47 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 35.8 m -48.98 -26.33 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.41 -127.65 5.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.32 175.66 14.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.403 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 2.0 m-20 -66.46 -61.64 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -45.2 -48.96 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.2 m -38.45 -55.02 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.482 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -69.87 -45.59 67.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' ALA . 26.9 t -37.11 -39.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 97' ' ' PHE . 49.7 m -100.38 -47.63 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 96' ' ' SER . 3.3 t80 -35.7 -54.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -57.21 -64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 102' ' ' GLY . 9.5 t-80 -45.07 -56.76 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -42.37 -40.31 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' GLY . 3.9 m170 -88.54 33.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 99' ' ' HIS . . . 36.55 45.62 1.01 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 6.0 m -132.48 94.34 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.4 p -112.91 80.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 55.8 m -106.64 115.47 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -86.51 43.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -124.92 -174.73 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.808 HG21 ' HB3' ' A' ' 58' ' ' SER . 92.1 m -124.02 -34.18 3.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -90.09 -6.91 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.28 -39.64 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -65.46 -45.29 84.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.428 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 66.3 m-85 -79.95 -13.38 59.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -102.61 21.59 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 p -106.59 165.35 11.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -56.93 -55.01 40.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.53 -50.46 9.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.43 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -51.86 -60.53 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.7 mt -41.24 -39.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.444 ' CE1' HD11 ' A' ' 124' ' ' ILE . 23.6 t80 -61.36 -60.15 4.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 11.3 mtm105 -41.7 -65.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -47.28 -48.68 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 123' ' ' LYS . 18.0 ttpt -51.71 -60.38 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.444 HD11 ' CE1' ' A' ' 120' ' ' TYR . 33.4 mm -40.3 -48.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -54.58 -43.2 71.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.6 t -61.86 -59.34 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 7.2 mt -55.09 -54.49 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -39.27 -47.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.1 t -53.24 -49.84 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -44.99 -56.62 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 84' ' ' ARG . . . -68.36 -33.63 74.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 133' ' ' ARG . 89.6 m -66.92 -74.14 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' THR . 10.7 mtt85 -36.74 -56.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 99.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 3.4 m80 61.49 53.29 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -44.3 -75.71 0.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.4 HG22 ' HE1' ' A' ' 80' ' ' TRP . 38.5 p -77.77 47.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 111.146 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -169.43 116.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.564 HD22 HD12 ' A' ' 141' ' ' LEU . 14.8 mt -53.04 94.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.452 ' C ' ' O ' ' A' ' 139' ' ' LEU . 3.9 p90 -34.15 -37.52 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.564 HD12 HD22 ' A' ' 139' ' ' LEU . 6.0 mt -36.76 132.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 141' ' ' LEU . 12.7 m-20 -34.92 141.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.8 t -46.16 117.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 11.9 t -102.45 174.24 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -111.26 75.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 179.41 3.73 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.9 m -109.0 167.08 10.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 30.5 t -101.66 107.83 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.474 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 t -61.76 85.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.851 0.358 . . . . 0.0 110.816 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -111.54 100.4 8.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.94 63.9 0.37 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -112.05 101.34 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -69.49 142.16 53.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.801 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.1 104.65 1.81 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -137.93 144.31 41.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.91 125.97 7.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.91 152.2 87.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 0.0 110.832 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.74 122.53 9.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -66.26 162.89 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -44.78 -66.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HA ' HD12 ' A' ' 17' ' ' LEU . 4.2 pt20 -41.41 -48.53 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -54.8 -50.44 68.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.936 HG23 HD21 ' A' ' 83' ' ' LEU . 59.6 mt -59.26 -36.29 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 14' ' ' GLN . 96.5 mt -56.04 -38.41 70.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' PHE . 74.7 m -64.22 -67.66 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' THR . 1.7 mp -33.07 -36.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.686 ' CZ ' HG22 ' A' ' 72' ' ' THR . 35.2 m-85 -85.3 -60.61 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' PHE . 8.2 ptmt -35.54 -33.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' PHE . 40.7 ttt-85 -67.67 -46.71 71.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.724 HD21 ' HA ' ' A' ' 87' ' ' GLN . 44.9 mt -76.16 -41.18 50.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -48.86 -49.15 40.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.9 t -42.3 -44.64 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.498 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 5.4 t -54.85 136.82 65.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.552 0.691 . . . . 0.0 111.17 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.498 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.0 Cg_endo -69.7 -34.09 15.47 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.1 p -81.32 -9.14 59.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' HA ' ' CG ' ' A' ' 91' ' ' ASN . 17.3 m-20 -103.2 -29.76 11.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 14.4 ptpt -79.56 13.81 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.2 m -134.02 121.54 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 15.1 t -40.63 102.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.641 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -41.86 -26.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 2.2 t70 -71.03 -72.35 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.4 p -97.04 -47.27 5.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.95 10.62 4.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.7 122.21 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -65.46 146.6 54.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.1 m-20 60.78 51.75 2.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.68 80.13 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 p -41.58 -60.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -54.42 143.86 22.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -146.44 126.08 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -93.3 110.37 21.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.591 HD13 ' CD ' ' A' ' 82' ' ' GLN . 12.7 mt -63.68 -38.08 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 3.2 m -40.72 -64.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.585 ' O ' HG13 ' A' ' 49' ' ' VAL . 23.4 m-85 -98.85 15.37 25.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 43.88 44.52 7.2 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 47' ' ' TYR . 16.1 m -122.22 164.41 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -98.45 147.67 24.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 16.7 mt -143.35 171.67 13.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' ILE . 25.9 p -116.34 147.42 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.6 tp -33.55 -43.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 53' ' ' ILE . 1.4 m-20 -59.06 -59.38 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 56' ' ' SER . 95.8 m -68.76 -59.05 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.1 p -32.21 -39.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.53 -49.49 60.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.452 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.444 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.1 m -52.34 -45.31 65.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.379 . . . . 0.0 110.802 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.802 ' HB3' HD11 ' A' ' 69' ' ' ILE . 14.4 m-70 -60.31 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -54.74 -33.18 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.7 t -65.06 -47.68 76.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.82 ' HB3' HD13 ' A' ' 66' ' ' LEU . 36.9 mt -48.08 -52.24 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 138.75 129.62 2.69 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.546 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 65' ' ' HIS . 16.1 m -36.27 -41.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.443 ' N ' HG23 ' A' ' 64' ' ' VAL . 16.5 p-80 -63.12 -42.78 99.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.4 mt -68.14 -43.37 78.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.64 105.27 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.413 ' CE2' ' HD3' ' A' ' 70' ' ' ARG . 8.2 t80 -77.82 121.54 24.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.802 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.9 mm -107.56 141.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.6 ' HB2' ' CZ2' ' A' ' 78' ' ' TRP . 7.2 mmm180 -150.98 149.17 29.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 m -86.72 146.4 26.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.686 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 78.6 p -92.32 -30.51 15.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.157 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -93.69 -55.36 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.8 -70.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.13 120.57 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -122.66 33.1 5.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.432 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 0.9 OUTLIER -120.45 36.28 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.6 ' CZ2' ' HB2' ' A' ' 70' ' ' ARG . 11.7 m95 -70.83 145.72 50.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 80' ' ' TRP . 51.4 p -93.47 137.09 33.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.5 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 91.0 m95 -33.23 -39.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 79' ' ' SER . 22.5 t80 -66.91 -63.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.591 ' CD ' HD13 ' A' ' 45' ' ' ILE . 27.0 mt-30 -47.87 -34.95 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.936 HD21 HG23 ' A' ' 16' ' ' ILE . 15.4 mt -62.84 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 58.3 mmt-85 -54.74 -32.97 60.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.0 m -50.88 -24.82 3.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 71.4 mmm -79.77 -43.88 21.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.724 ' HA ' HD21 ' A' ' 23' ' ' LEU . 20.2 mt-30 -67.89 -58.3 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.0 m -48.5 -19.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.33 -114.83 4.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.12 155.95 10.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.415 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.422 ' CG ' ' HA ' ' A' ' 29' ' ' ASN . 1.4 m-20 -56.1 -64.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.26 -47.54 46.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -39.38 -47.94 1.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.59 -49.42 14.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.3 t -37.98 -41.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 97' ' ' PHE . 16.3 m -90.19 -56.75 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 96' ' ' SER . 4.6 t80 -34.17 -58.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -49.69 -53.23 25.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -57.31 -53.87 53.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -38.21 -48.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -68.86 -46.29 68.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.55 43.26 1.16 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.8 p -54.09 -44.2 71.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.6 m 54.1 41.53 31.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.7 m -135.39 139.88 44.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -110.8 -30.85 7.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -51.81 -178.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 58' ' ' SER . 97.0 m -116.1 -37.44 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -79.95 -7.85 59.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.06 -51.73 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -51.71 -43.6 62.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.457 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 52.7 m-85 -80.76 -27.55 36.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -87.29 22.56 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.6 p -113.59 164.32 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.451 ' HD2' ' CD ' ' A' ' 118' ' ' GLN . 2.6 tpt180 -56.28 -55.42 33.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -41.2 -28.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.2 -43.78 20.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.498 ' CG ' ' N ' ' A' ' 119' ' ' LEU . 3.9 pt20 -62.69 -48.01 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.498 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 84.8 mt -48.77 -30.27 5.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -77.84 -50.81 11.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.48 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 26.5 mtm180 -54.08 -60.64 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -46.12 -42.14 13.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -62.21 -41.57 98.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.85 -37.94 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -67.19 -33.78 76.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 m -73.23 -44.07 60.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 130' ' ' GLN . 25.4 mt -69.36 -60.89 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -33.91 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 127' ' ' LEU . 9.1 t -61.26 -47.45 85.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 127' ' ' LEU . 6.3 pt20 -50.27 -44.54 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.451 ' N ' ' CG ' ' A' ' 130' ' ' GLN . . . -77.12 -37.39 54.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.2 m -69.55 -68.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -43.09 -56.05 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 135' ' ' HIS . 81.4 tttt -41.85 143.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 136' ' ' GLY . 18.2 m-70 34.52 41.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 32.78 -120.44 0.21 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 51.7 p -96.52 42.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.353 . . . . 0.0 111.168 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 140' ' ' TRP . 1.4 t70 -122.77 113.37 19.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 140' ' ' TRP . 17.8 mt -34.06 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' ' 138' ' ' ASP . 11.0 p90 -33.39 -42.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.581 ' H ' HD12 ' A' ' 141' ' ' LEU . 5.4 mp -35.31 -59.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -162.27 154.05 18.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t -81.14 149.91 28.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.3 t -100.96 150.74 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -63.97 -177.77 5.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 97.84 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.659 2.239 . . . . 0.0 112.383 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 95.1 p -104.62 163.21 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.9 m -134.68 165.14 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.532 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -150.28 155.09 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.817 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 t -55.3 -53.82 51.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.25 78.8 0.59 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -53.49 -48.36 69.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.925 0.393 . . . . 0.0 110.834 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -113.73 101.31 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.54 -110.57 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.467 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 9' ' ' GLY . 22.8 ptt? -134.29 -39.59 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' N ' ' HG3' ' A' ' 8' ' ' MET . . . 148.26 160.9 9.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -121.13 141.47 32.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.438 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.72 108.63 2.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.651 2.234 . . . . 0.0 112.4 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.0 m -63.42 166.58 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -60.14 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.696 ' HA ' HD12 ' A' ' 17' ' ' LEU . 4.5 pt20 -44.63 -45.89 9.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -63.28 -51.58 65.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.701 HG23 HD11 ' A' ' 83' ' ' LEU . 67.6 mt -55.12 -44.57 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 14' ' ' GLN . 17.6 mt -53.87 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' ILE . 12.0 m -39.25 -72.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.631 HG23 ' NE2' ' A' ' 87' ' ' GLN . 75.0 mt -33.84 -39.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.535 ' CZ ' HG22 ' A' ' 72' ' ' THR . 4.8 m-85 -75.68 -58.52 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 1.5 ptpp? -43.62 -39.3 3.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 3.8 tmm_? -59.59 -38.22 80.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.604 HD21 ' HA ' ' A' ' 87' ' ' GLN . 72.9 mt -82.89 -40.41 20.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' SER . 66.4 mtp85 -52.8 -46.46 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' ARG . 1.1 t -38.23 -50.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.437 ' H ' HG23 ' A' ' 26' ' ' VAL . 2.5 t -53.07 133.69 49.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HA ' ' HG2' ' A' ' 30' ' ' LYS . 53.6 Cg_endo -69.88 -14.73 36.09 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.43 ' H ' HG12 ' A' ' 26' ' ' VAL . 66.4 p -94.02 -14.2 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -101.48 -30.18 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.1 ptpt -75.3 8.19 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.408 HG12 ' HG2' ' A' ' 38' ' ' LYS . 16.4 m -132.47 121.66 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 13.5 t -38.34 109.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.532 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -49.02 -26.08 2.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.65 -71.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.2 p -98.24 -47.54 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.69 8.73 4.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.78 119.28 3.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.383 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG2' HG12 ' A' ' 31' ' ' VAL . 34.8 mttp -65.39 139.64 58.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 36.6 m-80 67.52 52.47 0.63 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.695 0.759 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.76 81.53 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.674 2.249 . . . . 0.0 112.29 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -46.83 -50.98 17.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.445 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 90.0 m95 -62.3 143.42 56.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.92 138.29 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 t -104.68 106.46 16.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.576 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.2 mt -57.46 -45.55 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -40.18 -62.73 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.578 ' O ' HG13 ' A' ' 49' ' ' VAL . 63.5 m-85 -95.46 16.47 16.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 37.63 40.27 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 47' ' ' TYR . 3.8 m -117.29 173.77 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -107.97 148.25 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 21.7 mt -142.93 173.27 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.6 p -114.51 153.13 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.445 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 3.1 tp -37.94 -32.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -71.82 -73.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 56' ' ' SER . 85.3 m -51.06 -55.26 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' CYS . 79.4 p -34.42 -45.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.511 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -51.28 -45.33 52.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.753 ' HB3' HG21 ' A' ' 108' ' ' THR . 1.8 m -52.45 -43.28 64.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.813 ' HB3' HD11 ' A' ' 69' ' ' ILE . 11.6 m-70 -64.85 -46.97 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.511 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 38.8 mtm180 -49.18 -38.93 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' LEU . 25.3 t -63.83 -57.6 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 59' ' ' HIS . 13.7 mt -37.02 -50.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 137.45 126.92 2.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.7 m -43.05 -24.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 111.185 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -72.67 -40.08 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -72.03 -50.75 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -149.19 105.78 3.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -76.85 132.98 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.813 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.1 mm -109.53 147.81 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' NH1' ' CG ' ' A' ' 75' ' ' ASP . 17.1 mtt-85 -165.76 130.59 2.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.4 m -68.33 179.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.535 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 51.5 p -116.2 -46.62 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.5 -48.76 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mt -72.88 -64.53 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.453 ' CG ' ' NH1' ' A' ' 70' ' ' ARG . 41.3 m-20 -63.82 121.63 14.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 4.7 p -124.94 -15.73 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -82.04 40.86 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.1 m95 -70.74 -174.69 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.593 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -129.14 148.17 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.874 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.446 ' NE1' HG22 ' A' ' 137' ' ' THR . 23.5 m95 -52.07 -35.25 46.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -71.5 -46.83 58.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -67.93 -27.77 66.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.701 HD11 HG23 ' A' ' 16' ' ' ILE . 1.8 mm? -64.72 -62.32 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HE ' ' HB1' ' A' ' 131' ' ' ALA . 18.1 mmt-85 -60.01 -32.3 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 5.8 m -48.56 -30.44 5.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.5 mmm -75.57 -43.88 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.631 ' NE2' HG23 ' A' ' 19' ' ' ILE . 15.4 mt-30 -66.51 -58.82 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 33.5 m -48.43 -20.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.64 -124.27 5.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.7 152.19 8.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.518 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.56 -51.62 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -56.98 -52.63 64.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 92' ' ' ALA . 24.2 m -36.19 -55.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.803 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -69.15 -45.91 68.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 94' ' ' ALA . 5.3 t -36.61 -37.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' PHE . 7.2 m -99.07 -50.36 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' SER . 24.5 t80 -36.22 -49.87 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.483 ' CZ ' ' HE3' ' A' ' 111' ' ' LYS . 19.3 m-85 -53.06 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -50.42 -55.0 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -45.68 -40.37 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -90.22 38.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 43.6 66.74 1.17 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 50.2 t -162.95 106.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.81 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.5 m -127.47 44.18 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 98.4 m -82.24 134.71 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -88.26 -35.17 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.43 175.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.753 HG21 ' HB3' ' A' ' 58' ' ' SER . 32.1 m -113.47 -41.91 3.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -78.34 -2.61 38.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.59 -50.53 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HE3' ' CZ ' ' A' ' 98' ' ' PHE . 30.1 tttp -54.75 -42.83 72.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.435 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 54.7 m-85 -82.28 -25.49 33.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -86.82 18.13 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.7 p -97.82 -178.2 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -79.65 -44.26 21.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.95 -39.81 72.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.42 -50.73 66.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -49.99 -55.91 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 63.7 mt -47.59 -35.06 8.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.803 ' CE2' ' HB2' ' A' ' 94' ' ' ALA . 12.0 t80 -62.01 -47.35 85.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 7.6 mtm105 -58.77 -58.56 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.815 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.525 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 11.3 pt-20 -52.31 -41.25 62.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 122' ' ' GLU . 18.0 ttmt -59.73 -45.4 92.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 35.2 mm -59.11 -33.85 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -63.35 -40.68 97.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 m -67.9 -54.18 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.592 HD23 ' OE1' ' A' ' 130' ' ' GLN . 19.8 mt -61.2 -53.45 56.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.434 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -43.42 -38.99 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.2 m -66.86 -33.76 76.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.592 ' OE1' HD23 ' A' ' 127' ' ' LEU . 39.5 mt-30 -57.36 -57.31 13.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.471 ' HB1' ' HE ' ' A' ' 84' ' ' ARG . . . -64.39 -40.65 96.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 84.8 m -59.42 -51.53 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 134' ' ' LYS . 30.3 ttt85 -74.27 -33.61 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 133' ' ' ARG . 22.1 tptm -32.46 -63.55 0.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 138' ' ' ASP . 1.6 t-80 -126.5 42.87 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.831 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 33.98 -100.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.446 HG22 ' NE1' ' A' ' 80' ' ' TRP . 21.5 p -115.85 69.11 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.122 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.522 ' HB3' ' CG ' ' A' ' 135' ' ' HIS . 9.1 t70 -161.54 135.62 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.56 HD12 HD23 ' A' ' 141' ' ' LEU . 4.6 mm? -59.57 95.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.546 ' CH2' ' OE1' ' A' ' 87' ' ' GLN . 9.1 p90 -44.47 -24.2 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.56 HD23 HD12 ' A' ' 139' ' ' LEU . 3.5 mm? -45.14 152.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -41.42 129.56 3.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.7 t -102.7 83.82 2.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 27.3 p -110.0 126.77 54.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 44.67 64.11 2.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 149.49 66.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.5 t -130.86 147.79 52.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 28.6 t -49.06 118.27 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.066 -0.852 . . . . 0.0 112.499 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 p -117.85 41.07 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -99.62 151.91 20.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.35 -147.21 4.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -154.08 169.97 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 m -109.16 109.03 19.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.01 44.19 2.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.462 ' O ' HG21 ' A' ' 137' ' ' THR . 0.1 OUTLIER -82.94 35.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 43.86 -155.88 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -139.66 156.38 71.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.553 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.5 Cg_endo -69.79 117.3 5.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -61.71 163.15 7.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -43.57 -60.94 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -42.64 -55.03 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -50.39 -54.1 24.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.069 HG23 HD21 ' A' ' 83' ' ' LEU . 49.4 mt -54.22 -47.89 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.9 mt -46.68 -36.19 6.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' PHE . 52.0 m -64.42 -70.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.64 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.6 mp -32.37 -35.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' A' ' 72' ' ' THR . 24.1 m-85 -83.62 -54.39 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' A' ' 22' ' ' ARG . 1.6 ptmm? -38.98 -41.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 21' ' ' LYS . 13.7 ttt-85 -62.0 -44.12 97.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 87' ' ' GLN . 54.8 mt -76.63 -58.84 3.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' LEU . 50.6 mtp180 -36.43 -52.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -39.03 -45.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 27' ' ' PRO . 25.7 t -60.19 137.31 91.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 26' ' ' VAL . 54.0 Cg_endo -69.76 11.88 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.449 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 12.0 p -114.94 -25.99 7.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -93.4 -30.1 15.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 16.2 ptpt -71.18 0.55 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 m -132.3 133.93 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 34' ' ' ASP . 46.9 t -50.07 127.56 16.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.3 -33.08 72.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.529 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 4.0 m-20 -65.03 -72.14 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.6 p -96.85 -55.39 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 32' ' ' CYS . . . 130.36 19.65 1.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.553 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.78 128.34 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -66.21 142.52 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 48.8 t30 63.44 53.77 1.67 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.578 0.704 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.76 80.78 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.397 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 p -44.59 -65.81 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -51.85 149.0 5.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.69 122.29 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.4 t -85.82 120.1 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.797 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.543 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 15.8 mt -72.84 -39.45 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 13.5 m -47.19 -54.9 9.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.669 ' O ' HG13 ' A' ' 49' ' ' VAL . 52.4 m-85 -96.42 10.94 36.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 41.34 50.6 4.57 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 47' ' ' TYR . 17.2 m -135.92 160.14 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -91.36 143.54 26.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 84.2 mt -135.27 160.69 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.2 p -107.66 149.0 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.8 tp -32.96 -37.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' CYS . 31.4 t0 -66.58 -69.42 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 34' ' ' ASP . 77.2 m -55.87 -56.14 24.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' CYS . 79.1 p -32.74 -43.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.68 -49.87 45.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' CYS . 55.5 p -50.43 -43.25 54.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.827 ' HB3' HD11 ' A' ' 69' ' ' ILE . 22.8 m-70 -70.02 -44.4 69.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -47.76 -37.45 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.6 m -75.23 -44.77 44.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD13 HD22 ' A' ' 66' ' ' LEU . 86.7 mt -40.52 -48.96 2.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 129.25 126.09 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.481 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.6 m -38.5 -30.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.459 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 33.8 p-80 -72.46 -42.71 64.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.674 HD22 HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -71.08 -43.67 67.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -159.92 105.19 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -78.19 132.21 37.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.827 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.6 mm -108.18 148.67 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.213 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.538 ' HD3' HD11 ' A' ' 45' ' ' ILE . 16.3 mtp180 -162.47 127.85 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -70.07 166.74 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.595 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 64.4 p -107.02 -37.15 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -85.26 -58.48 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.68 -57.98 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -77.9 109.38 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 m -119.89 37.06 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -122.42 35.35 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.543 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 12.5 m95 -67.2 162.52 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 80' ' ' TRP . 3.2 m -107.99 133.06 52.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.553 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 75.0 m95 -30.66 -51.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -62.03 -55.98 23.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.528 ' HG2' HG21 ' A' ' 45' ' ' ILE . 76.8 mt-30 -53.51 -34.25 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.069 HD21 HG23 ' A' ' 16' ' ' ILE . 25.6 mt -63.49 -56.0 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.8 mmt-85 -59.11 -34.54 72.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 86.0 m -49.66 -34.71 19.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.8 mmm -73.05 -35.3 66.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.598 ' HA ' HD21 ' A' ' 23' ' ' LEU . 36.9 mt-30 -74.85 -60.45 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.487 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 27.6 m -44.63 -30.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -101.37 -106.13 2.89 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.15 175.04 18.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 28' ' ' THR . 3.8 m-20 -72.12 -54.28 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -55.84 -50.55 70.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' ALA . 4.4 m -35.75 -52.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.5 -54.49 10.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.3 t -35.1 -41.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 97' ' ' PHE . 8.1 t -89.24 -54.1 4.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 96' ' ' SER . 34.5 t80 -36.01 -58.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -42.16 -48.94 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' GLN . 7.2 t60 -61.38 -56.02 24.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' HIS . 0.4 OUTLIER -34.16 -51.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -70.36 -53.6 15.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.37 52.23 0.19 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.4 t -130.94 87.63 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.0 t -98.31 44.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 99.3 m -87.14 140.79 29.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 107' ' ' ASP . 12.4 m120 -91.35 -51.1 5.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.549 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 14.2 m-20 -33.71 134.9 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.9 m -76.78 -40.2 49.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 18.7 t-20 -75.12 -4.27 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -116.71 -58.66 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -43.2 -40.12 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.642 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 24.7 m-85 -86.89 -29.87 21.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.0 m-80 -85.11 20.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.9 p -101.93 172.61 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -65.84 -54.91 20.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.33 -46.71 25.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.84 72.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -55.57 -59.81 4.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.0 mt -37.72 -39.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.505 ' CE1' HD11 ' A' ' 124' ' ' ILE . 39.5 t80 -62.06 -65.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 10.2 mtm105 -35.84 -61.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -47.2 -51.63 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -52.19 -50.19 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 120' ' ' TYR . 33.4 mm -49.46 -35.54 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -70.74 -38.31 73.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -65.27 -53.1 49.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.487 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 15.3 mt -62.58 -53.55 53.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.43 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -43.1 -41.11 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 m -57.34 -39.73 76.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.783 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -57.64 -73.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.55 -39.89 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 60.7 m -67.18 -72.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -38.06 -53.85 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -38.82 -61.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 140' ' ' TRP . 56.3 m-70 -124.43 85.91 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.15 -87.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.499 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 74.2 p -104.9 42.35 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 111.199 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -138.94 155.18 48.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.648 HD12 HD21 ' A' ' 141' ' ' LEU . 3.6 mm? -88.07 97.0 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.523 ' CE3' HD23 ' A' ' 141' ' ' LEU . 5.9 p90 -38.33 -37.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.702 ' H ' HD23 ' A' ' 141' ' ' LEU . 0.5 OUTLIER -68.04 -40.21 82.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 139' ' ' LEU . 11.0 t70 -178.0 112.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 43.4 t -67.34 96.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.0 m -86.42 45.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.811 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -168.96 176.07 43.22 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -179.04 2.65 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 63.9 p -91.05 101.32 14.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.5 m -118.51 104.0 10.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.485 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -45.6 158.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.914 0.388 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -158.81 145.49 17.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.79 105.68 3.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.3 p -150.65 108.5 3.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -104.22 105.34 15.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.48 125.63 3.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.5 ttt -130.65 105.3 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.27 112.25 4.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -40.29 156.27 0.18 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.589 0.709 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.4 Cg_endo -69.71 128.92 16.77 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -77.24 172.45 13.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HE3' HD21 ' A' ' 17' ' ' LEU . 46.5 tptt -48.82 -63.04 1.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 17' ' ' LEU . 7.0 tm0? -40.81 -54.42 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -52.84 -52.8 55.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.763 HG23 HD21 ' A' ' 83' ' ' LEU . 69.0 mt -55.12 -43.23 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.482 HD21 ' HE3' ' A' ' 13' ' ' LYS . 82.1 mt -52.21 -36.85 53.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' ILE . 52.5 m -64.63 -68.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.465 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 2.4 mp -33.5 -36.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' CZ ' HG22 ' A' ' 72' ' ' THR . 26.3 m-85 -82.87 -58.98 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' PHE . 6.6 ptmt -35.59 -37.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -63.08 -44.77 94.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 87' ' ' GLN . 17.0 mt -77.67 -43.05 32.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' SER . 36.1 mtp180 -45.75 -53.93 8.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' ARG . 26.1 m -36.1 -50.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 28' ' ' THR . 3.4 t -52.05 131.27 40.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HA ' ' HG2' ' A' ' 30' ' ' LYS . 53.7 Cg_endo -69.73 -14.3 35.97 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.553 ' H ' HG12 ' A' ' 26' ' ' VAL . 32.6 p -96.58 -13.26 23.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -102.41 -27.8 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.7 ptpt -76.75 10.19 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 17.0 m -134.07 132.92 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 34' ' ' ASP . 6.4 t -48.81 101.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -39.32 -32.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 5.5 t0 -63.39 -71.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.7 p -98.6 -49.03 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.4 17.34 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.26 122.01 12.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -64.41 141.79 58.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.8 m-20 63.96 50.39 1.08 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.77 79.57 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 p -39.49 -59.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.479 ' CD1' ' HA ' ' A' ' 53' ' ' ILE . 79.6 m95 -56.3 142.95 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.11 126.8 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.045 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -90.97 114.45 26.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.567 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.9 mt -67.68 -46.52 82.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m -38.36 -63.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.537 ' O ' HG13 ' A' ' 49' ' ' VAL . 82.2 m-85 -92.53 10.04 31.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 44.11 46.59 8.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 47' ' ' TYR . 13.8 m -124.01 173.18 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -107.08 139.68 41.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.4 mt -135.95 167.62 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.4 p -106.33 171.07 7.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.4 tp -52.83 -40.3 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' N ' HG23 ' A' ' 53' ' ' ILE . 76.6 m-20 -67.16 -75.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' SER . 72.0 m -43.8 -57.5 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 92.2 p -33.43 -36.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.4 -48.35 81.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -50.71 -42.67 57.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.768 ' HB3' HD11 ' A' ' 69' ' ' ILE . 25.6 m-70 -67.81 -45.24 75.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -56.44 -30.9 63.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.1 t -68.97 -49.12 60.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 59' ' ' HIS . 11.9 mt -48.76 -51.68 27.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.53 128.92 2.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.562 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.3 m -44.39 -24.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -70.91 -40.54 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -73.79 -49.99 22.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -147.06 105.11 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -75.62 132.54 40.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.768 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.8 mm -109.91 135.99 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -148.08 136.35 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 t -79.84 166.2 21.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.52 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 51.6 p -109.12 -31.16 7.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -92.64 -56.27 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.72 -53.48 32.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.06 125.3 29.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.96 32.82 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -120.98 36.9 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.567 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 13.1 m95 -73.9 142.35 45.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.86 149.62 21.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.571 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 49.8 m95 -47.02 -39.28 12.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -67.31 -58.2 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -54.58 -31.75 57.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.763 HD21 HG23 ' A' ' 16' ' ' ILE . 22.9 mt -63.35 -62.05 1.94 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' HE ' ' HB1' ' A' ' 131' ' ' ALA . 31.5 mmt-85 -52.02 -40.22 60.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 95.8 m -42.83 -40.68 2.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 80.7 mmm -68.07 -38.26 82.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.796 ' HA ' HD21 ' A' ' 23' ' ' LEU . 14.9 mm-40 -68.86 -59.05 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 24.2 m -54.89 -13.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -110.65 -140.59 8.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 138.89 154.11 6.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 1.6 m-20 -52.97 -60.23 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -49.12 -55.93 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 92' ' ' ALA . 2.6 m -32.12 -59.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.811 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' SER . . . -68.37 -48.74 63.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 94' ' ' ALA . 13.2 t -36.71 -32.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' ALA . 99.7 p -105.03 -53.7 2.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.4 t80 -35.57 -37.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -67.81 -55.29 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -64.97 -55.33 19.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.432 ' CD ' ' HA ' ' A' ' 97' ' ' PHE . 2.9 pt20 -42.95 -41.15 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -69.77 -61.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.76 52.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.2 t -157.78 114.4 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.0 p -120.64 45.32 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.3 m -81.74 132.62 35.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -89.08 -33.78 17.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.63 175.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.9 m -113.31 -46.0 3.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -73.51 -5.13 38.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.36 -53.26 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -51.61 -42.77 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 53.3 m-85 -80.8 -24.96 38.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -89.17 20.8 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.9 p -104.04 165.14 11.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -60.67 -50.77 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.94 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.93 -52.78 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -54.24 -57.82 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.5 mt -40.59 -43.97 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.555 ' CE1' HD11 ' A' ' 124' ' ' ILE . 28.0 t80 -57.93 -60.65 3.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 120' ' ' TYR . 27.1 mtm180 -38.38 -62.78 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -47.42 -52.12 17.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -46.38 -52.37 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.555 HD11 ' CE1' ' A' ' 120' ' ' TYR . 26.9 mm -49.91 -40.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.6 -46.33 90.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.3 t -59.48 -65.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 26.3 mt -49.56 -55.07 14.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.39 -44.84 5.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.8 t -59.13 -32.82 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 127' ' ' LEU . 44.3 mm-40 -62.2 -43.61 98.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.444 ' HB1' ' HE ' ' A' ' 84' ' ' ARG . . . -79.18 -34.17 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 67.1 m -68.58 -49.7 57.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 134' ' ' LYS . 0.5 OUTLIER -65.34 -36.43 83.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 133' ' ' ARG . 26.7 ttmt -37.07 -59.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -126.35 -44.27 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 80' ' ' TRP . . . 93.01 -51.42 2.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.438 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.468 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 17.5 p -118.25 -39.82 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 111.106 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.1 135.47 39.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 141' ' ' LEU . 25.0 mt -72.96 97.61 2.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.46 ' C ' ' O ' ' A' ' 139' ' ' LEU . 5.8 p90 -33.18 -36.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 139' ' ' LEU . 7.9 mt -36.57 -54.78 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.45 172.74 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.8 m -94.81 144.94 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.5 p -168.28 146.41 4.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -151.7 -84.12 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.559 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 3.09 2.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.74 2.294 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 21.6 t -102.98 149.1 24.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 21.1 p -110.74 136.92 49.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.223 -0.765 . . . . 0.0 112.511 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -109.6 103.8 12.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.93 0.395 . . . . 0.0 110.927 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -71.53 110.31 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.03 172.54 38.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -152.01 170.71 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -154.14 117.82 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.97 118.12 4.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.484 ' O ' ' CG2' ' A' ' 137' ' ' THR . 7.7 mtm -119.08 -57.1 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.807 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.98 -159.5 24.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.17 120.39 26.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 110.835 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.449 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.4 Cg_endo -69.83 133.71 26.11 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.646 2.23 . . . . 0.0 112.28 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' LYS . 55.3 m -73.82 159.32 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' SER . 24.0 ttpt -37.0 -54.96 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -48.7 -58.43 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.12 -49.84 50.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.978 HG23 HD21 ' A' ' 83' ' ' LEU . 69.0 mt -57.26 -47.42 84.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.7 mt -48.96 -65.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' ILE . 9.0 m -38.9 -69.76 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.577 HD12 HD13 ' A' ' 83' ' ' LEU . 98.5 mt -33.79 -37.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.602 ' CZ ' HG22 ' A' ' 72' ' ' THR . 10.3 m-85 -80.48 -55.5 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -40.08 -35.18 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -65.62 -40.83 93.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 87' ' ' GLN . 22.0 mt -83.83 -52.83 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -48.13 -42.97 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -43.81 -46.1 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 13.7 t -51.91 135.27 37.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.694 0.759 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.1 Cg_endo -69.79 10.91 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.44 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 72.3 p -120.82 -17.22 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.5 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 97.3 m-20 -99.85 -21.67 15.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -81.86 12.06 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.4 m -138.83 119.56 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 36' ' ' GLY . 8.0 t -36.02 103.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.539 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -41.68 -32.64 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.29 -72.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.1 p -98.13 -48.81 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.97 12.25 3.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.52 115.07 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -60.1 142.39 54.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.457 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 9.5 m120 62.78 53.66 1.94 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.7 82.49 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.9 p -45.37 -36.25 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CD1' ' N ' ' A' ' 53' ' ' ILE . 91.3 m95 -81.91 147.88 29.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.39 128.46 10.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -91.72 112.77 24.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.588 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 9.6 mt -65.45 -44.83 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.453 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 1.8 m -41.63 -61.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.767 ' O ' HG13 ' A' ' 49' ' ' VAL . 78.6 m-85 -93.05 15.33 15.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.93 48.41 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.428 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 47' ' ' TYR . 21.6 m -129.78 166.05 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 65.7 m-85 -97.85 145.4 26.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 44.8 mt -139.39 170.55 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.0 p -116.44 150.99 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 42' ' ' TRP . 3.0 tp -35.09 -37.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.78 -72.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 56' ' ' SER . 79.1 m -52.4 -56.25 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 55' ' ' CYS . 38.2 p -30.58 -42.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.495 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -53.05 -49.84 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' CYS . 69.0 p -48.7 -38.95 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.488 ' HB3' HD11 ' A' ' 69' ' ' ILE . 24.0 m-70 -76.63 -41.13 47.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.495 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 31.0 mtm180 -49.64 -37.09 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 t -73.73 -43.11 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.747 HD13 HD22 ' A' ' 66' ' ' LEU . 96.5 mt -44.34 -36.49 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 115.69 130.36 4.69 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.425 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.9 m -41.68 -29.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.19 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.411 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 31.1 p-80 -74.11 -38.84 63.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.747 HD22 HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -74.1 -44.58 53.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -160.37 105.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -76.72 139.61 40.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.5 mm -113.23 140.21 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 78' ' ' TRP . 11.2 mmm180 -150.75 141.54 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 t -90.09 152.7 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.602 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 76.9 p -90.65 -43.27 10.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -87.65 -65.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.74 -36.51 47.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -108.2 122.05 46.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.8 m -129.49 32.75 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.02 26.35 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.588 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.8 m95 -59.71 159.09 9.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 80' ' ' TRP . 1.6 p -105.61 135.66 46.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.818 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.521 ' CE2' ' HA ' ' A' ' 137' ' ' THR . 65.7 m95 -31.31 -42.76 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' SER . 32.2 t80 -65.13 -67.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -49.83 -27.24 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.978 HD21 HG23 ' A' ' 16' ' ' ILE . 7.9 mt -66.51 -63.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 25.2 mmt-85 -53.31 -34.31 56.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.471 ' HA ' HG22 ' A' ' 88' ' ' VAL . 92.7 m -42.51 -48.98 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 77.4 mmm -58.84 -34.06 71.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.677 ' HA ' HD21 ' A' ' 23' ' ' LEU . 87.3 mt-30 -72.6 -43.15 63.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.481 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 10.5 m -81.36 21.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.15 -86.03 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.84 161.2 35.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 28' ' ' THR . 22.0 m-20 -75.36 -64.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -49.05 -51.36 31.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' ALA . 33.5 m -33.32 -54.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -66.78 -50.33 63.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' ALA . 7.6 t -36.1 -40.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' PHE . 17.8 m -92.8 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.2 t80 -36.17 -43.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' HE2' ' HB2' ' A' ' 117' ' ' ALA . 16.9 m-85 -62.92 -60.77 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -51.53 -51.92 51.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -41.5 -48.08 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.84 -45.23 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.34 47.72 0.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.6 p -64.74 -42.85 94.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.1 t 40.4 44.17 1.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 106' ' ' ASN . 94.3 m -147.82 153.83 39.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 107' ' ' ASP . 8.8 m120 -115.75 -47.06 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 106' ' ' ASN . 31.5 m-20 -33.25 138.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.557 HG23 ' CD2' ' A' ' 112' ' ' TYR . 99.5 m -77.22 -39.98 46.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -72.73 -6.62 45.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.37 -59.7 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -46.59 -37.43 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.557 ' CD2' HG23 ' A' ' 108' ' ' THR . 45.4 m-85 -85.62 -30.5 23.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.609 HD22 HD11 ' A' ' 66' ' ' LEU . 10.4 m120 -86.63 25.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.1 p -110.74 166.51 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -57.77 -56.19 25.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.41 -44.15 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.507 ' HB1' ' OH ' ' A' ' 47' ' ' TYR . . . -66.07 -50.74 63.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 119' ' ' LEU . 31.1 mt-30 -53.2 -61.42 2.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 118' ' ' GLN . 40.7 mt -35.98 -38.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.819 ' CE1' HD11 ' A' ' 124' ' ' ILE . 11.7 t80 -62.17 -61.18 2.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 20.7 mtm180 -38.92 -66.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -46.25 -52.82 11.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -48.12 -55.84 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.819 HD11 ' CE1' ' A' ' 120' ' ' TYR . 39.2 mm -46.71 -40.43 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -59.1 -55.37 35.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 t -54.67 -58.12 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 130' ' ' GLN . 32.9 mt -55.92 -58.11 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -37.32 -47.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 133' ' ' ARG . 19.4 t -58.57 -38.58 78.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' LEU . 2.0 pp0? -54.36 -34.44 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -88.51 -30.77 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.5 m -83.86 -64.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.508 ' O ' ' C ' ' A' ' 134' ' ' LYS . 55.5 ttt-85 -46.35 -43.59 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.508 ' C ' ' O ' ' A' ' 133' ' ' ARG . 5.9 ttpp -29.43 -69.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.438 ' CG ' ' HB2' ' A' ' 138' ' ' ASP . 2.0 t-160 -123.1 -45.3 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.95 -103.71 2.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.521 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 43.7 p -62.43 -49.78 74.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.438 ' HB2' ' CG ' ' A' ' 135' ' ' HIS . 1.0 OUTLIER -60.29 150.33 30.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 140' ' ' TRP . 40.5 mt -91.65 105.2 17.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.542 ' HH2' HE22 ' A' ' 87' ' ' GLN . 11.3 p90 -32.22 -43.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.446 ' H ' HD12 ' A' ' 141' ' ' LEU . 4.8 mp -33.2 -50.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -144.93 153.36 41.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 46.7 t -74.59 104.83 5.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 24.7 p -171.17 139.89 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -129.81 148.36 18.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.444 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 161.22 46.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 97.4 p -95.05 -29.08 14.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.3 t -88.42 136.25 33.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.466 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.608 0.718 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.559 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.7 133.07 24.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -78.12 173.17 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.019 0.438 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -51.0 -61.94 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -40.22 -65.59 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.07 -50.93 8.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.924 HG23 HD21 ' A' ' 83' ' ' LEU . 74.4 mt -57.64 -39.56 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.1 mt -67.58 -29.87 69.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 7.0 m -70.29 -34.93 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.766 HG23 ' CD ' ' A' ' 87' ' ' GLN . 69.7 mt -76.22 -24.99 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.814 ' CZ ' HG22 ' A' ' 72' ' ' THR . 16.2 m-85 -90.22 -29.6 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 18' ' ' THR . 9.9 ptpt -65.67 -28.35 69.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -80.86 -41.77 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.834 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.658 HD21 ' C ' ' A' ' 86' ' ' MET . 7.6 mp -72.55 -44.42 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mtp-105 -57.12 -44.64 83.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -38.7 -47.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.503 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 2.7 t -55.66 136.82 71.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.6 Cg_endo -69.76 -28.17 25.59 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -85.55 -9.21 57.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' CG ' ' HB ' ' A' ' 26' ' ' VAL . 13.7 m-20 -102.82 -30.11 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ptpt -79.46 13.68 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 31' ' ' VAL . 16.7 m -137.35 118.08 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' VAL . 28.7 t -35.2 106.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.577 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -48.2 -21.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -75.58 -70.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.8 p -97.39 -43.31 7.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 122.33 7.1 7.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.15 124.66 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -67.99 147.94 51.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 8.0 m120 59.77 48.79 2.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.71 80.59 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.376 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -44.23 -62.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -49.16 139.43 10.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.4 137.71 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -103.43 106.16 16.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.466 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.3 mt -60.22 -44.05 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.54 HG22 ' HD2' ' A' ' 121' ' ' ARG . 0.3 OUTLIER -41.57 -58.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -100.54 12.63 36.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.95 49.24 4.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 m -124.55 165.31 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -102.18 133.06 47.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -128.82 170.8 12.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ASP . 24.4 p -116.92 148.31 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 52' ' ' CYS . 5.1 tp -33.23 -34.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' CYS . 9.2 t70 -67.07 -67.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.1 m -63.42 -55.08 27.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' CYS . 82.3 p -33.45 -36.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.94 -48.36 82.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.2 m -52.27 -49.9 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 110.838 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.876 ' HB3' HD11 ' A' ' 69' ' ' ILE . 9.3 m-70 -54.96 -48.82 72.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -51.2 -38.6 53.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 t -62.22 -47.06 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.851 ' HB3' HD13 ' A' ' 66' ' ' LEU . 20.7 mt -47.81 -47.14 31.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.467 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 131.6 126.33 2.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.535 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -38.79 -31.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.467 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 28.6 p-80 -68.44 -43.19 77.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.851 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.1 tt -70.73 -47.72 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -153.36 105.13 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -78.0 134.25 37.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.876 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.1 mm -113.9 136.93 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -147.91 127.91 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -69.5 173.99 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.814 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 67.6 p -118.22 -30.56 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.213 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.72 -36.65 23.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.88 -67.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.85 114.64 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.8 p -117.48 -21.75 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -76.34 50.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.466 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 8.3 m95 -79.14 156.18 28.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' TRP . 20.3 m -102.32 127.89 49.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 82.1 m95 -33.88 -59.29 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -48.8 -47.12 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.485 ' O ' ' C ' ' A' ' 83' ' ' LEU . 87.3 mt-30 -60.11 -67.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.924 HD21 HG23 ' A' ' 16' ' ' ILE . 5.2 mt -30.64 -56.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.512 ' NH1' HD11 ' A' ' 19' ' ' ILE . 71.3 mmt-85 -52.84 -49.21 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 88' ' ' VAL . 75.9 m -37.09 -35.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.658 ' C ' HD21 ' A' ' 23' ' ' LEU . 68.5 mmm -70.84 -43.51 68.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.766 ' CD ' HG23 ' A' ' 19' ' ' ILE . 6.7 mt-30 -71.77 -36.84 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 85' ' ' CYS . 21.7 m -84.04 26.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.93 -92.91 0.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.8 159.64 34.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.471 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -66.01 -68.38 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -42.0 -49.59 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 92' ' ' ALA . 1.9 m -37.88 -47.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.99 -48.68 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 t -39.55 -39.07 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 97' ' ' PHE . 3.6 m -92.15 -56.72 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.5 t80 -34.87 -48.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 117' ' ' ALA . 17.8 m-85 -57.96 -66.63 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -44.58 -50.22 9.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.0 m . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.859 0.361 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 1.1 t30 -77.72 -5.57 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.01 -57.69 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -47.92 -40.42 21.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.422 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 45.1 m-85 -83.04 -26.4 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 25.4 m-80 -89.5 19.52 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.6 p -105.29 163.05 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -55.15 -56.62 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.92 -49.98 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 98' ' ' PHE . . . -57.11 -55.5 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.45 -59.1 3.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.2 mt -38.96 -44.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 121' ' ' ARG . 34.6 t80 -57.63 -66.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.54 ' HD2' HG22 ' A' ' 46' ' ' THR . 12.1 mtm180 -35.26 -65.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -43.82 -52.86 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -49.39 -52.94 25.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.8 mm -48.16 -46.49 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -55.32 -44.87 76.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.9 t -59.59 -68.58 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 130' ' ' GLN . 14.6 mt -45.97 -53.26 10.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -37.16 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 127' ' ' LEU . 46.0 p -68.47 -47.14 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 127' ' ' LEU . 68.8 mt-30 -48.9 -41.47 33.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.3 -42.77 16.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.4 m -61.23 -63.56 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.615 0.722 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HB3' ' CE2' ' A' ' 80' ' ' TRP . 52.9 Cg_endo -69.8 118.85 5.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 m -63.02 167.7 4.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -47.86 -58.71 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -44.47 -62.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.594 ' O ' HD12 ' A' ' 19' ' ' ILE . 37.6 m-20 -46.02 -52.45 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.888 HG23 HD21 ' A' ' 83' ' ' LEU . 77.1 mt -51.66 -40.77 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.069 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.33 -28.07 69.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.8 m -68.86 -31.7 70.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 15' ' ' ASP . 4.1 mp -78.78 -28.57 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.626 ' CZ ' HG22 ' A' ' 72' ' ' THR . 16.6 m-85 -85.3 -43.36 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -47.29 -34.98 7.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -66.88 -41.24 87.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' A' ' 87' ' ' GLN . 34.0 mt -78.64 -57.06 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 10.0 mtp-105 -42.9 -51.24 5.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.2 p -40.28 -35.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 28' ' ' THR . 5.3 t -74.7 135.19 74.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.4 Cg_endo -69.82 1.57 4.35 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.441 ' H ' HG12 ' A' ' 26' ' ' VAL . 72.6 p -106.3 -16.11 14.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -105.48 -28.13 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ptpt -75.68 7.18 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.2 m -136.23 119.97 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.6 t -35.28 112.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -50.71 -26.77 5.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -70.76 -71.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.3 p -97.03 -49.42 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.55 13.57 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.1 124.2 14.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -64.0 139.43 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.473 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 43.5 t30 64.39 52.66 1.23 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.81 80.23 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -40.36 -68.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 68.6 m95 -48.94 143.39 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.31 127.83 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.4 t -86.61 119.88 27.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.536 HG21 ' HG2' ' A' ' 82' ' ' GLN . 23.1 mt -73.92 -56.22 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ILE . 43.6 m -34.71 -43.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.8 -27.38 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.48 37.3 27.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.4 m -118.98 174.64 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.52 140.41 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.0 mt -136.66 169.4 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.5 p -115.4 147.61 40.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.8 tp -32.8 -38.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' CYS . 3.8 m-20 -64.81 -67.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 56' ' ' SER . 67.9 m -62.35 -54.94 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.7 p -33.03 -40.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.79 -47.74 83.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.485 ' HB3' HG21 ' A' ' 108' ' ' THR . 2.7 m -52.58 -41.82 63.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.735 ' HB3' HD11 ' A' ' 69' ' ' ILE . 6.6 m-70 -65.56 -46.24 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -49.39 -34.28 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -67.26 -44.94 78.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.498 HD13 HD22 ' A' ' 66' ' ' LEU . 91.4 mt -44.62 -56.75 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 141.2 127.84 2.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.1 m -41.67 -25.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 111.173 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.428 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 32.4 p-80 -78.37 -38.71 41.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.498 HD22 HD13 ' A' ' 62' ' ' LEU . 1.7 tt -76.17 -40.92 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -159.58 108.17 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -86.16 132.47 34.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.735 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.5 mm -108.53 149.34 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -165.14 122.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -61.61 178.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.626 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 67.4 p -117.91 -41.07 2.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.87 -43.05 25.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.79 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -77.79 -64.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -62.44 129.61 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' HD11 ' A' ' 16' ' ' ILE . 5.5 p -128.09 -25.92 2.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -77.41 46.83 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -71.74 174.96 6.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' TRP . 67.9 m -115.97 121.13 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.512 ' CE2' ' HB3' ' A' ' 11' ' ' PRO . 16.9 m95 -34.56 -37.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -71.38 -51.54 23.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.536 ' HG2' HG21 ' A' ' 45' ' ' ILE . 89.7 mt-30 -56.67 -37.59 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.888 HD21 HG23 ' A' ' 16' ' ' ILE . 18.1 mt -58.64 -54.86 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 23.9 mmt-85 -54.8 -39.74 68.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 124' ' ' ILE . 74.6 m -48.51 -36.01 14.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 81.1 mmm -64.92 -40.6 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.944 ' HA ' HD21 ' A' ' 23' ' ' LEU . 22.2 mt-30 -72.63 -63.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.522 HG11 ' N ' ' A' ' 128' ' ' ALA . 35.7 m -41.96 -30.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -102.38 -109.08 3.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 100.95 155.16 27.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.468 ' ND2' ' HB2' ' A' ' 33' ' ' PHE . 1.8 m-20 -45.64 -68.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -34.94 -63.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -29.81 -64.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.73 79.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -38.92 -33.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' PHE . 11.9 t -106.15 -51.07 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' SER . 10.5 t80 -32.61 -46.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -61.63 -59.34 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -57.76 -55.04 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.87 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 58' ' ' SER . 70.3 m . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.835 0.35 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 23.1 t-20 -77.38 -8.36 57.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.58 -55.1 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -50.67 -46.87 58.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.466 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 52.8 m-85 -76.38 -23.62 54.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 10.9 m-80 -88.37 20.48 3.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.3 p -101.73 169.89 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -64.53 -49.78 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.12 -43.21 30.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.02 -52.98 61.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -49.48 -62.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.7 mt -42.51 -40.47 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 121' ' ' ARG . 41.9 t80 -61.41 -62.44 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 120' ' ' TYR . 42.1 mtm180 -37.22 -66.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -48.4 -51.46 26.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -43.78 22.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.407 ' CG2' ' HB3' ' A' ' 85' ' ' CYS . 26.4 mm -56.78 -44.04 80.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -61.63 -37.4 83.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 t -66.89 -54.89 17.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.471 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 47.1 mt -57.82 -61.27 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.522 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -40.01 -45.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.4 t -51.68 -39.69 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -60.02 -56.25 23.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.0 73.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.7 m -69.79 -49.36 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.6 ptt85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.574 0.702 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.5 Cg_endo -69.84 125.87 12.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.592 2.195 . . . . 0.0 112.38 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 m -79.7 174.08 11.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -48.93 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -42.35 -62.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -49.97 -54.71 18.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.686 HG23 HD11 ' A' ' 83' ' ' LEU . 65.0 mt -48.43 -33.39 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -73.95 -32.01 63.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 m -57.35 -28.84 63.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.692 HG23 ' NE2' ' A' ' 87' ' ' GLN . 4.9 mp -87.02 -40.44 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.949 ' CZ ' HG22 ' A' ' 72' ' ' THR . 12.4 m-85 -71.6 -27.47 63.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -61.98 -40.18 94.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -68.87 -33.58 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD11 ' HG2' ' A' ' 87' ' ' GLN . 10.7 mp -81.58 -63.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LEU . 43.6 mtp180 -38.18 -51.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.8 p -39.88 -50.18 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 28' ' ' THR . 3.4 t -55.15 130.49 68.31 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.685 0.755 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -2.21 9.74 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.48 ' H ' HG12 ' A' ' 26' ' ' VAL . 44.6 p -104.45 -11.8 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -107.38 -25.3 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -78.19 10.59 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' CYS . 5.3 m -135.27 120.9 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 36' ' ' GLY . 29.3 t -37.57 104.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.606 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.99 -22.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -74.02 -71.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.6 p -96.49 -45.15 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 123.68 9.28 5.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.427 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.32 128.83 29.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -71.11 146.93 48.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.508 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.7 m-20 60.96 50.38 2.06 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.75 80.51 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 p -42.23 -68.03 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.522 ' CD1' ' HA ' ' A' ' 53' ' ' ILE . 85.5 m95 -46.8 143.37 2.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.47 133.82 19.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 t -96.22 113.68 25.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.402 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 13.7 mt -69.64 -44.57 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.188 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 32.1 m -47.85 -46.59 31.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.741 ' O ' HG13 ' A' ' 49' ' ' VAL . 60.1 m-85 -104.68 10.84 34.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.98 44.5 2.77 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 47' ' ' TYR . 18.2 m -125.04 169.98 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -107.13 145.86 31.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.0 mt -142.51 165.78 26.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.8 p -106.75 148.73 28.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.522 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.4 tp -33.91 -33.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' CYS . 13.7 t70 -69.0 -72.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 56' ' ' SER . 85.9 m -55.12 -55.59 29.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' CYS . 61.7 p -32.57 -37.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.6 -50.04 62.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.53 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.2 m -51.38 -42.04 61.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.918 ' HB3' HD11 ' A' ' 69' ' ' ILE . 12.7 m-70 -64.4 -46.36 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -55.31 -35.81 65.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -67.15 -53.71 28.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 59' ' ' HIS . 15.8 mt -40.03 -51.61 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.55 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.71 124.5 2.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -38.6 -29.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.55 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 36.9 p-80 -68.82 -45.17 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -67.11 -44.61 79.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.401 ' OG ' ' CE1' ' A' ' 47' ' ' TYR . 1.8 m -156.48 109.8 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -81.92 129.2 34.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.918 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.1 mm -108.72 138.43 35.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -144.28 148.48 34.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.42 132.41 39.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.949 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 60.4 p -77.62 -46.41 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.69 -73.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.9 mt -42.75 -66.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.84 137.86 37.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.5 p -129.01 -8.2 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -86.7 50.54 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.402 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 6.4 m95 -73.89 -177.73 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' GLN . 9.6 m -124.89 129.02 49.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.437 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 39.5 m95 -39.13 -50.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -57.32 -37.96 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' SER . 84.1 mt-30 -73.98 -26.57 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.686 HD11 HG23 ' A' ' 16' ' ' ILE . 4.2 mm? -66.68 -52.23 47.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 22.2 mmt-85 -63.03 -34.75 78.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.7 m -50.27 -30.88 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.427 ' C ' HD21 ' A' ' 23' ' ' LEU . 89.4 mmm -73.99 -46.0 46.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.692 ' NE2' HG23 ' A' ' 19' ' ' ILE . 11.6 mt-30 -64.84 -61.33 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 128' ' ' ALA . 13.1 m -49.44 -18.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.65 -116.28 4.17 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.34 160.05 13.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.483 ' ND2' ' HB2' ' A' ' 33' ' ' PHE . 4.7 m-20 -63.07 -57.9 9.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -55.6 -49.68 72.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 92' ' ' ALA . 13.7 m -34.25 -53.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.36 -47.37 56.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' ALA . 30.0 t -35.61 -39.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 97' ' ' PHE . 72.0 m -90.94 -58.05 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.5 t80 -34.21 -54.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -49.25 -54.04 18.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.4 t-160 -62.49 -55.17 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 99' ' ' HIS . 11.5 mm100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 58' ' ' SER . 55.2 m . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.835 0.35 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -77.96 -7.74 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.31 -59.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -45.03 -38.99 5.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.409 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 47.1 m-85 -84.36 -28.63 26.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.2 m-80 -85.7 21.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.1 p -101.61 173.47 6.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -69.99 -47.16 63.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.11 -43.95 61.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.41 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' LEU . 20.6 mt-30 -52.68 -62.58 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' GLN . 67.8 mt -37.48 -43.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.496 ' CE1' HD11 ' A' ' 124' ' ' ILE . 9.9 t80 -58.73 -58.76 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 23.0 mtm180 -41.23 -65.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -47.0 -51.26 17.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -47.66 -50.82 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.496 HD11 ' CE1' ' A' ' 120' ' ' TYR . 34.3 mm -50.39 -39.39 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -58.78 -51.9 68.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.9 m -57.97 -51.34 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 130' ' ' GLN . 29.6 mt -60.17 -63.69 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -35.19 -38.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m -61.96 -45.23 94.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -51.57 -36.46 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -84.79 -33.66 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.5 m -71.55 -66.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.75 126.88 13.83 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.283 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -65.89 169.77 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -53.2 -58.22 7.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -44.7 -60.62 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -44.88 -52.12 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.557 HD11 ' O ' ' A' ' 76' ' ' SER . 69.6 mt -51.12 -55.68 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 18' ' ' THR . 95.7 mt -40.06 -67.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' LEU . 4.1 m -36.99 -67.46 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.834 ' CD1' HD13 ' A' ' 83' ' ' LEU . 63.6 mt -37.15 -36.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CZ ' HG22 ' A' ' 72' ' ' THR . 12.1 m-85 -82.16 -60.65 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' PHE . 6.1 pttp -36.93 -39.34 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -60.69 -44.22 96.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.694 HD21 ' HA ' ' A' ' 87' ' ' GLN . 67.1 mt -76.85 -44.19 33.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' SER . 38.8 mtp180 -49.24 -49.44 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -35.9 -51.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 28' ' ' THR . 6.0 t -48.99 131.41 15.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.689 0.757 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 4.23 2.29 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.447 ' H ' HG12 ' A' ' 26' ' ' VAL . 68.7 p -113.75 -16.33 12.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -100.22 -26.25 13.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -76.68 7.99 4.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.0 m -136.27 121.94 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 8.2 t -37.04 105.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -44.78 -30.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.404 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 2.8 t0 -64.46 -72.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.3 p -98.5 -48.89 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 128.26 12.54 2.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 116.53 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -59.67 143.11 51.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.478 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.8 m-20 63.05 52.12 1.55 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.1 Cg_endo -69.88 79.98 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -40.73 -67.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -48.89 147.42 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.18 124.68 8.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -89.58 113.25 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.612 HD13 ' CD ' ' A' ' 82' ' ' GLN . 12.5 mt -64.71 -49.59 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -36.36 -63.45 0.39 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -91.38 5.0 51.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.31 55.48 7.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 91' ' ' ASN . 3.1 m -135.41 168.6 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.084 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -101.79 143.85 31.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 23.1 mt -140.27 168.47 19.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' ILE . 30.5 p -111.67 147.7 34.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.9 tp -34.62 -36.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' CYS . 2.2 m-20 -66.28 -58.09 6.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.79 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' GLY . 79.0 m -69.12 -54.19 16.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 55' ' ' CYS . 57.8 p -33.38 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.98 -48.89 79.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -50.18 -40.72 47.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 -179.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.867 ' HB3' HD11 ' A' ' 69' ' ' ILE . 20.5 m-70 -69.56 -44.0 71.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -53.33 -38.06 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -66.14 -46.12 78.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.465 HD13 HD22 ' A' ' 66' ' ' LEU . 98.4 mt -44.94 -55.9 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.508 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.86 127.49 2.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -41.53 -28.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.508 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 37.5 p-80 -73.47 -42.28 62.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.465 HD22 HD13 ' A' ' 62' ' ' LEU . 1.1 tt -72.25 -46.41 56.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -152.67 104.93 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.94 133.7 36.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.867 HD11 ' HB3' ' A' ' 59' ' ' HIS . 4.1 mm -107.79 145.13 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.175 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -159.07 126.68 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.03 174.08 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.606 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 79.9 p -115.78 -39.8 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.95 -40.95 27.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.6 mt -82.63 -66.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.34 126.7 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.557 ' O ' HD11 ' A' ' 16' ' ' ILE . 4.1 p -127.05 -21.49 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -81.99 48.53 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.458 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 7.1 m95 -73.14 178.35 4.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 80' ' ' TRP . 70.4 m -122.65 124.12 42.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.474 ' CZ2' ' HB3' ' A' ' 11' ' ' PRO . 30.8 m95 -33.82 -43.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -65.6 -51.23 61.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.612 ' CD ' HD13 ' A' ' 45' ' ' ILE . 15.0 mt-30 -58.43 -34.84 71.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.834 HD13 ' CD1' ' A' ' 19' ' ' ILE . 9.8 mt -60.89 -62.05 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' GLN . 16.8 mmt-85 -43.88 -47.77 8.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.1 m -39.04 -42.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 79.3 mmm -65.91 -39.86 90.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.813 HE21 HG23 ' A' ' 19' ' ' ILE . 16.2 mm-40 -68.17 -60.64 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.418 HG11 ' C ' ' A' ' 127' ' ' LEU . 24.0 m -51.82 -28.56 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.7 -138.95 10.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.83 160.27 8.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.432 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.448 ' HA ' HG12 ' A' ' 49' ' ' VAL . 2.2 m120 -54.49 -52.57 61.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.836 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -60.46 -49.76 76.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' ALA . 3.4 m -36.23 -50.06 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.21 -50.32 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 t -38.18 -42.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -86.77 -47.57 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.88 -56.85 4.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -50.71 -62.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.58 -51.52 20.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.468 HG23 ' CD2' ' A' ' 112' ' ' TYR . 98.7 m . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.803 0.335 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.478 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 24.7 t-20 -74.91 -8.07 55.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.24 -58.56 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.024 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -47.77 -41.51 23.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.468 ' CD2' HG23 ' A' ' 108' ' ' THR . 46.5 m-85 -80.79 -30.61 35.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.5 m-80 -87.64 27.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.9 p -111.5 172.68 6.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -64.28 -54.97 24.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.02 -43.45 14.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.95 -54.01 45.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -51.69 -62.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.5 mt -37.01 -42.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.424 ' CE1' HD11 ' A' ' 124' ' ' ILE . 22.3 t80 -57.82 -64.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 120' ' ' TYR . 13.3 mtm105 -36.99 -62.72 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -44.48 -51.71 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -49.22 -52.79 24.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 120' ' ' TYR . 45.4 mm -49.64 -42.71 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.56 -46.15 87.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 t -58.6 -51.29 70.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.418 ' C ' HG11 ' A' ' 88' ' ' VAL . 21.5 mt -66.33 -54.82 20.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -40.32 -40.74 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 t -58.99 -39.23 81.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 127' ' ' LEU . 43.1 mt-30 -59.51 -59.47 5.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.458 ' O ' ' NE ' ' A' ' 84' ' ' ARG . . . -61.51 -27.13 68.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.2 m -72.73 -60.39 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.6 ptt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 121.606 0.717 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.78 138.89 38.84 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.695 2.263 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.75 173.91 8.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -49.86 -40.57 42.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -65.54 -39.37 91.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' HD12 ' A' ' 19' ' ' ILE . 5.7 m-20 -68.83 -43.09 76.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.456 HG23 HD21 ' A' ' 83' ' ' LEU . 40.1 mt -62.12 -35.09 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.88 -31.24 70.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.6 m -68.06 -37.48 81.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 83' ' ' LEU . 2.4 mp -75.72 -25.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.605 ' CZ ' HG22 ' A' ' 72' ' ' THR . 7.8 m-85 -87.54 -33.4 18.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -53.06 -35.83 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 tpt85 -78.13 -24.49 47.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -78.8 -64.2 1.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 35.4 mtp180 -44.37 -41.3 6.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 t -40.38 -52.47 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 2.3 t -56.24 136.55 75.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.584 0.707 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.5 Cg_endo -69.81 -10.09 27.68 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.487 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 51.1 p -101.59 -12.26 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -99.78 -32.1 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' CE ' ' O ' ' A' ' 24' ' ' ARG . 16.3 ptpt -74.19 5.52 4.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 m -135.41 128.42 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' GLY . 29.5 t -43.36 105.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.436 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 0.5 OUTLIER -47.17 -24.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.07 -71.23 0.29 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.0 p -96.35 -44.79 7.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 122.29 9.8 6.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.492 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.17 126.75 26.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.402 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -68.55 145.84 53.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.7 t-20 63.01 52.65 1.65 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.4 Cg_endo -69.9 80.17 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.623 2.215 . . . . 0.0 112.318 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 p -40.25 -66.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.811 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.471 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 62.2 m95 -52.62 151.21 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.63 126.55 6.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.06 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -86.75 115.39 24.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.639 HD13 HE21 ' A' ' 82' ' ' GLN . 17.6 mt -69.68 -43.53 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.459 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 69.2 m -46.09 -53.97 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -96.79 4.0 51.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.45 44.35 21.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.94 169.28 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -106.56 136.6 46.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -134.26 171.63 13.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' ILE . 22.7 p -116.01 149.23 39.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 54' ' ' ASP . 2.3 tp -31.09 -46.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.205 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 53' ' ' ILE . 46.8 m-20 -58.97 -68.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLY . 72.0 m -58.71 -58.01 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' CYS . 58.4 p -33.47 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.32 -48.49 80.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.658 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.2 m -51.08 -48.78 61.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.697 ' HA ' HD12 ' A' ' 62' ' ' LEU . 23.8 m-70 -59.12 -44.83 92.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.446 ' CG ' HG13 ' A' ' 69' ' ' ILE . 68.9 mtp180 -55.31 -37.03 66.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 t -62.99 -50.49 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 59' ' ' HIS . 11.9 mt -45.18 -64.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 150.73 129.49 1.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -41.95 -27.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.423 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 54.9 p-80 -68.47 -47.94 65.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 65' ' ' HIS . 2.6 tt -70.07 -42.74 72.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -155.98 117.44 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -91.4 139.3 30.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.668 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.4 mm -114.41 154.98 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 9.5 mtp180 -167.87 131.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.5 m -78.14 156.59 29.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.605 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 30.8 p -98.42 -39.93 8.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.17 -52.75 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -73.15 -57.35 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.37 108.99 16.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.7 m -119.13 35.44 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -116.88 34.14 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.577 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 12.5 m95 -69.06 161.96 27.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.33 151.88 26.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.576 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 61.1 m95 -46.14 -40.73 11.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -71.0 -58.79 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.639 HE21 HD13 ' A' ' 45' ' ' ILE . 30.4 mt-30 -55.32 -14.99 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.671 HD13 HD13 ' A' ' 19' ' ' ILE . 26.2 mt -81.35 -57.34 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -59.9 -24.61 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.496 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 66.3 m -59.5 -31.58 69.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 84.3 mmm -70.09 -35.26 74.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.469 ' NE2' HG23 ' A' ' 19' ' ' ILE . 56.8 mt-30 -75.84 -64.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 22.2 m -43.65 -23.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.41 -114.14 3.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.29 164.41 15.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.42 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 28' ' ' THR . 2.0 m-20 -68.3 -56.13 9.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -54.63 -51.2 66.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ALA . 61.2 m -34.71 -53.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.18 -54.52 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.6 t -35.46 -36.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.1 m -94.62 -51.71 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -39.09 -55.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -47.89 -60.29 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -53.9 -55.21 28.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.658 HG21 ' HB3' ' A' ' 58' ' ' SER . 97.2 m . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.763 0.316 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -84.65 1.79 44.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.28 -46.02 2.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -56.75 -45.08 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.64 ' HE2' HG23 ' A' ' 108' ' ' THR . 23.0 m-85 -81.14 -22.29 39.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -89.94 17.95 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.1 p -103.6 159.34 15.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -54.28 -59.7 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -38.17 -52.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.1 -53.16 54.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 119' ' ' LEU . 24.1 mt-30 -52.2 -61.86 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 118' ' ' GLN . 62.7 mt -36.42 -40.27 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.576 ' CE1' HD11 ' A' ' 124' ' ' ILE . 39.2 t80 -62.6 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 20.2 mtm180 -35.59 -64.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -45.89 -52.09 12.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -50.76 -51.92 45.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.576 HD11 ' CE1' ' A' ' 120' ' ' TYR . 24.5 mm -44.02 -40.23 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -68.33 -42.01 79.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -61.34 -41.61 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 130' ' ' GLN . 24.6 mt -78.2 -55.78 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.496 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -39.82 -31.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.9 p -72.35 -39.94 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -53.95 -35.33 61.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -88.59 -32.36 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.1 m -74.02 -64.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.71 132.75 24.07 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.786 2.324 . . . . 0.0 112.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m -80.57 177.41 9.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.971 0.415 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -55.15 -57.63 10.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -44.81 -53.12 7.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.59 -51.72 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.569 HG23 HD21 ' A' ' 83' ' ' LEU . 68.3 mt -57.42 -34.39 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.57 -41.78 92.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -64.84 -59.89 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.991 ' CD1' HD13 ' A' ' 83' ' ' LEU . 95.8 mt -41.93 -38.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 72' ' ' THR . 14.1 m-85 -80.18 -60.98 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 22' ' ' ARG . 9.3 pttp -35.97 -46.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 21' ' ' LYS . 24.3 ttt85 -53.79 -45.15 70.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' PHE . 86.7 mt -76.3 -38.33 56.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -53.0 -49.78 65.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -38.85 -42.11 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 3.9 t -59.67 137.19 89.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.694 0.759 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.4 Cg_endo -69.89 -32.21 18.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.308 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -82.65 -6.36 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -106.75 -31.31 8.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 14.3 ptpt -78.19 11.56 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.5 m -133.9 125.86 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLY . 11.7 t -44.17 110.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.21 -28.98 2.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.08 -71.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 p -97.5 -47.04 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 121.96 13.12 5.1 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.25 128.17 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -68.09 142.83 55.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.483 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 9.8 m120 61.73 51.73 2.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.4 Cg_endo -69.78 80.04 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.228 . . . . 0.0 112.43 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 p -40.69 -65.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.431 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 81.5 m95 -50.89 145.39 7.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.89 124.18 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.085 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -83.45 119.43 24.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.569 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 23.4 mt -77.25 -46.69 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 26.6 m -50.03 -42.05 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.732 ' O ' HG13 ' A' ' 49' ' ' VAL . 54.0 m-85 -105.3 12.56 31.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.57 54.33 1.05 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 47' ' ' TYR . 15.8 m -139.15 157.36 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -92.3 142.95 26.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -139.29 168.85 18.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.4 p -114.0 146.96 39.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.1 tp -32.39 -40.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' N ' HG23 ' A' ' 53' ' ' ILE . 5.9 t70 -61.7 -69.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.1 m -58.3 -55.89 29.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' CYS . 53.6 p -33.95 -33.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.77 -48.65 80.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -52.05 -47.15 65.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.92 0.39 . . . . 0.0 110.892 -179.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.826 ' HB3' HD11 ' A' ' 69' ' ' ILE . 19.4 m-70 -58.68 -47.87 83.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -53.5 -38.6 63.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.1 m -60.73 -47.67 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.711 ' HB3' HD22 ' A' ' 66' ' ' LEU . 14.9 mt -48.91 -55.71 10.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.477 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 141.32 125.12 2.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -36.55 -34.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.477 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 51.0 p-80 -64.22 -46.44 83.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.711 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -67.75 -49.48 62.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.88 105.48 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -78.45 131.31 36.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.826 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.8 mm -111.03 136.55 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -147.96 129.29 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 t -69.71 162.52 27.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 66.4 p -103.52 -27.82 12.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -104.79 -45.77 4.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.47 37.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -171.22 115.93 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -119.69 35.48 4.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -121.78 40.03 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.569 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.7 m95 -81.92 146.53 29.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' TRP . 12.1 p -97.99 138.94 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 94.8 m95 -36.43 -41.69 0.3 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -66.63 -61.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.479 ' HG2' HG21 ' A' ' 45' ' ' ILE . 90.6 mt-30 -49.94 -32.45 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.991 HD13 ' CD1' ' A' ' 19' ' ' ILE . 12.9 mt -65.41 -67.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 45.3 mmt-85 -49.2 -40.1 32.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 82.3 m -45.12 -23.06 0.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 77.9 mmm -86.83 -40.94 14.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.965 ' NE2' HG23 ' A' ' 19' ' ' ILE . 89.8 mt-30 -73.02 -26.13 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.526 HG21 ' N ' ' A' ' 128' ' ' ALA . 27.6 m -91.47 19.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -135.11 -96.11 0.51 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.07 163.87 26.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.19 -70.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -40.64 -50.2 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ALA . 5.3 m -34.11 -50.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -74.82 -51.55 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 94' ' ' ALA . 25.9 t -35.05 -37.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' PHE . 30.6 t -95.27 -54.91 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.4 t80 -34.45 -51.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -51.62 -50.94 59.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -65.81 -47.77 73.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.881 0.372 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.494 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 22.3 t-20 -81.97 -9.01 59.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.83 -54.67 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -47.71 -41.32 22.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.461 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 46.4 m-85 -83.27 -28.06 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 26.2 m-80 -87.15 20.63 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 p -101.06 171.19 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -67.15 -49.95 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.95 -42.56 48.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.74 76.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' LEU . 25.7 mt-30 -53.41 -60.36 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' GLN . 58.2 mt -36.82 -45.65 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 121' ' ' ARG . 18.6 t80 -57.21 -66.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.474 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 28.6 mtm180 -34.71 -64.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -46.96 -56.96 5.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -41.22 -56.97 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 30.9 mm -48.55 -36.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.38 -52.74 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.9 m -58.12 -65.28 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 130' ' ' GLN . 29.1 mt -47.82 -53.96 13.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.526 ' N ' HG21 ' A' ' 88' ' ' VAL . . . -35.32 -33.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 127' ' ' LEU . 23.8 p -72.53 -45.23 60.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.8 pt20 -46.14 -26.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 84' ' ' ARG . . . -103.83 -21.09 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.2 m -95.45 -61.13 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.541 0.686 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.68 136.67 33.82 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -79.43 162.35 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -45.19 -60.29 2.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -41.76 -56.89 2.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -52.1 -48.63 64.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.906 HG23 HD21 ' A' ' 83' ' ' LEU . 55.0 mt -58.69 -34.27 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.66 -34.55 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -70.14 -37.66 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.617 HG23 ' NE2' ' A' ' 87' ' ' GLN . 71.1 mt -67.66 -31.11 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CZ ' HG22 ' A' ' 72' ' ' THR . 11.2 m-85 -85.22 -47.97 9.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -36.94 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -64.77 -38.16 90.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD11 ' HG2' ' A' ' 87' ' ' GLN . 69.3 mt -81.25 -58.45 3.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 25' ' ' SER . 7.5 mtp-105 -39.27 -46.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' ARG . 35.7 t -37.13 -51.51 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 7.5 t -52.21 134.62 41.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.66 0.743 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.1 Cg_endo -69.68 5.95 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.3 p -115.34 -15.82 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -99.77 -28.14 13.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -75.6 6.08 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 m -134.77 127.63 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' GLY . 12.3 t -43.5 114.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -51.1 -30.39 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 4.7 t70 -66.94 -71.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.2 p -98.16 -48.11 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.44 9.41 4.5 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.427 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.01 121.89 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.09 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -65.85 143.97 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.456 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 94.6 m-20 62.14 53.51 2.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.71 82.27 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.38 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.49 -43.04 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -72.91 142.3 47.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB1' ' CE ' ' A' ' 86' ' ' MET . . . -149.35 125.44 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 t -89.25 114.06 25.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.612 HG21 ' HG2' ' A' ' 82' ' ' GLN . 12.6 mt -66.44 -43.54 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 29.9 m -41.98 -54.95 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' A' ' 46' ' ' THR . 57.0 m-85 -100.19 7.57 44.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.37 45.76 16.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 91' ' ' ASN . 2.1 m -124.83 164.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -101.6 131.96 47.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -125.45 175.71 7.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.1 p -119.44 151.19 38.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.5 tp -34.22 -41.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.95 -74.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 56' ' ' SER . 76.8 m -51.16 -57.19 9.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' CYS . 69.3 p -31.56 -40.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.49 -49.82 59.28 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.3 m -51.38 -40.24 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.881 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.801 ' HB3' HD11 ' A' ' 69' ' ' ILE . 9.4 m-70 -67.71 -43.35 80.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -53.63 -34.21 57.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.5 m -68.37 -50.7 51.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.774 ' HB3' HD13 ' A' ' 66' ' ' LEU . 58.9 mt -42.09 -49.07 4.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 130.39 127.96 2.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -38.7 -35.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -64.5 -43.93 92.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.774 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.4 tt -71.53 -43.0 67.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -157.96 112.87 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -86.49 132.61 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.801 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.6 mm -107.51 133.89 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -146.85 127.7 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 m -68.89 -177.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.597 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 57.9 p -125.39 -38.32 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -79.94 -37.21 35.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mp -91.73 -62.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.96 112.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 p -112.48 -22.69 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -76.01 53.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.495 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.3 m95 -85.74 134.31 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 80' ' ' TRP . 53.3 p -81.67 129.87 34.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.552 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 70.9 m95 -32.93 -39.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' SER . 44.2 t80 -68.17 -59.11 3.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.612 ' HG2' HG21 ' A' ' 45' ' ' ILE . 66.8 mt-30 -47.05 -39.96 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.906 HD21 HG23 ' A' ' 16' ' ' ILE . 7.7 mt -57.32 -63.54 1.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HD2' ' HB1' ' A' ' 131' ' ' ALA . 50.4 mmt-85 -51.09 -46.42 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.8 m -39.2 -32.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.463 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 81.6 mmm -72.85 -46.2 54.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.618 ' HG2' HD11 ' A' ' 23' ' ' LEU . 19.7 mt-30 -65.47 -59.85 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.489 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 26.8 m -45.96 -22.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.8 -121.19 4.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.26 159.87 10.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.429 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.403 ' HA ' HG12 ' A' ' 49' ' ' VAL . 2.1 m120 -61.55 -61.44 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.823 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -50.26 -51.6 43.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' ALA . 2.7 m -34.36 -53.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -70.72 -53.11 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 94' ' ' ALA . 21.5 t -34.87 -36.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' ALA . 50.7 m -96.62 -52.25 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' SER . 26.3 t80 -36.0 -56.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.791 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CZ ' ' HE2' ' A' ' 111' ' ' LYS . 32.4 m-85 -45.98 -52.01 12.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.5 t-160 -67.97 -58.25 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 99' ' ' HIS . 80.1 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.0 m . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.82 0.343 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 21.1 t-20 -81.15 -10.43 59.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.77 -59.14 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.523 ' HE2' ' CZ ' ' A' ' 98' ' ' PHE . 55.9 tttt -45.09 -42.99 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -78.9 -31.45 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.1 m-80 -85.73 22.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 p -101.19 175.49 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -66.77 -53.32 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.811 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.21 -50.21 39.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.15 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -59.6 -59.36 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 68.4 mt -44.66 -33.91 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -64.83 -49.66 69.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 8.1 mtm105 -56.75 -58.7 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 7.6 pt-20 -49.93 -40.94 45.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.519 ' N ' ' HG3' ' A' ' 122' ' ' GLU . 3.8 ttmm -60.31 -47.41 86.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 46.0 mm -54.89 -32.49 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -64.78 -53.24 50.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.1 t -58.45 -49.67 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.489 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 11.2 mt -59.81 -59.4 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.468 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -36.46 -31.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.7 m -68.31 -44.73 74.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.7 pt20 -51.84 -44.39 63.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -77.19 -40.11 46.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.4 m -63.66 -68.76 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.541 0.686 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.3 Cg_endo -69.7 120.84 7.57 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -77.87 164.11 25.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -41.7 -56.59 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -42.92 -62.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -51.57 -48.75 63.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.922 HG23 HD11 ' A' ' 83' ' ' LEU . 68.9 mt -58.79 -35.4 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.74 -44.71 92.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' LYS . 49.4 m -56.8 -67.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.938 HD13 ' HB3' ' A' ' 83' ' ' LEU . 15.4 mt -39.36 -33.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.666 ' CZ ' HG22 ' A' ' 72' ' ' THR . 9.0 m-85 -84.62 -34.76 23.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -63.17 -35.17 79.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -70.26 -40.15 74.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 19' ' ' ILE . 5.3 mp -73.17 -59.24 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' SER . 31.1 mtp180 -40.83 -51.16 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' ARG . 32.4 t -38.07 -39.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.509 HG13 ' HD2' ' A' ' 27' ' ' PRO . 25.8 t -62.24 136.68 95.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.509 ' HD2' HG13 ' A' ' 26' ' ' VAL . 53.3 Cg_endo -69.8 12.97 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 91' ' ' ASN . 32.3 p -123.96 -15.89 6.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -102.25 -22.27 14.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -79.97 7.01 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 15.9 m -137.9 127.87 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' GLY . 6.7 t -45.1 116.2 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -50.81 -33.33 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -63.77 -71.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.4 p -99.77 -47.27 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 123.56 12.33 4.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.16 120.01 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -59.29 143.34 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.4 m120 62.65 54.75 2.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.3 Cg_endo -69.82 79.92 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 p -42.21 -66.87 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 70.8 m95 -51.91 149.07 5.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.1 126.58 10.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.148 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -92.24 111.01 22.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.569 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.1 mt -64.79 -42.54 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 m -39.2 -62.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.481 ' O ' HG13 ' A' ' 49' ' ' VAL . 51.0 m-85 -95.8 11.27 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.41 43.66 10.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 47' ' ' TYR . 10.3 m -121.37 169.8 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.423 ' O ' HD23 ' A' ' 51' ' ' LEU . 26.3 m-85 -102.74 143.67 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 50' ' ' PHE . 33.5 mt -138.16 166.99 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 29.0 p -112.45 146.6 38.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.511 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 2.0 tp -31.93 -38.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' CYS . 2.0 t70 -66.26 -71.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 57' ' ' GLY . 80.5 m -53.12 -55.78 21.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' CYS . 55.4 p -32.98 -35.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.65 -49.47 65.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.45 ' OG ' HG21 ' A' ' 108' ' ' THR . 0.9 OUTLIER -49.49 -48.42 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.791 ' HB3' HD11 ' A' ' 69' ' ' ILE . 26.8 m-70 -60.63 -48.9 79.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 10.9 mtp-105 -52.59 -37.58 58.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 m -62.46 -48.14 80.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 59' ' ' HIS . 12.0 mt -48.5 -53.28 18.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 140.72 123.95 2.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 m -37.82 -28.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.564 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 23.6 p-80 -69.91 -45.45 67.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -67.83 -50.44 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 105.48 3.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -76.46 129.05 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.791 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.4 mm -109.92 136.3 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -146.16 139.41 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.4 m -83.73 151.92 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.666 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 52.1 p -95.18 -51.3 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -73.35 -65.29 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.66 -62.04 1.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.67 125.21 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 m -128.39 30.86 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -117.37 40.48 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.569 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.6 m95 -72.71 171.15 13.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' TRP . 8.3 m -113.91 137.34 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.809 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.547 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 37.2 m95 -36.55 -55.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -56.41 -45.84 80.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -66.91 -27.3 67.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.938 ' HB3' HD13 ' A' ' 19' ' ' ILE . 1.3 mm? -66.9 -50.35 62.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HD2' ' NE2' ' A' ' 87' ' ' GLN . 10.1 mmt-85 -62.35 -40.98 98.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.438 ' HA ' HG22 ' A' ' 88' ' ' VAL . 91.1 m -38.2 -49.45 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.429 ' C ' HD21 ' A' ' 23' ' ' LEU . 64.4 mmm -62.76 -34.78 77.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.938 ' OE1' HG23 ' A' ' 19' ' ' ILE . 9.3 mt-30 -73.46 -42.37 62.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 127' ' ' LEU . 23.3 m -79.86 15.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.81 -104.3 0.66 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.36 162.47 37.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.475 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -56.73 -65.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.902 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -33.48 -63.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -31.17 -64.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.48 84.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.095 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.0 t -38.65 -36.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.792 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 97' ' ' PHE . 66.7 m -102.06 -48.56 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 96' ' ' SER . 11.5 t80 -35.3 -53.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -55.08 -61.62 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -48.34 -54.21 14.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.45 HG21 ' OG ' ' A' ' 58' ' ' SER . 73.2 m . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.805 0.336 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 12.9 t-20 -75.77 -8.16 56.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.12 -49.84 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.476 ' NZ ' ' CE1' ' A' ' 112' ' ' TYR . 17.9 tttm -50.95 -43.96 60.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.629 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 50.9 m-85 -81.39 -25.79 35.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 30.2 m-80 -88.72 22.09 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 p -105.26 172.91 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -65.61 -56.2 13.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.79 -51.18 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.27 75.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.0 -58.75 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.1 mt -41.16 -36.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.496 ' CZ ' HD11 ' A' ' 124' ' ' ILE . 21.7 t80 -65.26 -63.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 120' ' ' TYR . 14.1 mtm105 -33.9 -63.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -45.83 -57.98 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -41.22 -54.12 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.496 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 29.3 mm -44.66 -48.1 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 19.9 ttpp -50.85 -57.95 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.0 t -51.06 -65.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.498 ' O ' HG11 ' A' ' 88' ' ' VAL . 18.3 mt -51.38 -34.32 33.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 125' ' ' LYS . . . -61.86 -46.16 90.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 94.2 p -58.58 -37.91 76.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -50.95 -72.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.06 -50.21 20.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -58.7 -75.68 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.6 ttm105 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.551 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.0 Cg_endo -69.75 153.33 69.1 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.669 2.246 . . . . 0.0 112.408 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.6 m -90.4 168.23 12.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -52.12 -55.77 18.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -50.12 -53.29 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.36 -48.61 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.874 HG23 HD21 ' A' ' 83' ' ' LEU . 35.5 mt -61.49 -43.2 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -48.58 -37.63 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 19' ' ' ILE . 1.5 m -64.55 -67.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.4 mp -33.27 -38.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.872 ' CZ ' HG22 ' A' ' 72' ' ' THR . 26.3 m-85 -82.44 -55.28 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -42.36 -40.33 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 3.7 tpm_? -61.15 -39.48 90.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.802 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 87' ' ' GLN . 53.6 mt -83.24 -59.34 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 23' ' ' LEU . 67.7 mtp180 -34.95 -48.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.0 p -39.3 -47.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 8.6 t -57.53 135.96 82.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.454 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.9 Cg_endo -69.78 3.91 2.51 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.728 2.285 . . . . 0.0 112.36 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 80.4 p -114.66 -4.49 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -113.47 -22.88 10.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -82.37 9.31 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 31' ' ' VAL . 15.2 m -134.62 117.43 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' GLY . 3.0 t -37.48 116.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -49.33 -34.69 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.22 -69.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.3 p -103.69 -46.75 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.19 11.25 3.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 52' ' ' CYS . . . -46.47 127.32 9.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -68.1 139.38 56.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.492 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 71.5 m-80 62.8 51.63 1.58 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.0 Cg_endo -69.85 79.67 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -43.21 -63.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.418 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 53.5 m95 -51.71 145.79 8.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.47 ' HB1' ' HE1' ' A' ' 86' ' ' MET . . . -152.59 135.28 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 5.0 t -92.06 99.35 12.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.549 HD13 ' CD ' ' A' ' 82' ' ' GLN . 14.7 mt -50.65 -51.11 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.634 HG22 ' HG2' ' A' ' 121' ' ' ARG . 74.8 m -39.72 -60.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.412 ' O ' HG13 ' A' ' 49' ' ' VAL . 87.0 m-85 -92.4 4.5 53.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' SER . . . 46.46 40.86 11.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 47' ' ' TYR . 9.1 m -115.07 165.54 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -100.6 132.97 45.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.6 mt -129.05 164.54 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 53' ' ' ILE . 29.9 p -109.56 151.38 26.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 54' ' ' ASP . 2.1 tp -32.07 -48.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.534 ' N ' HG23 ' A' ' 53' ' ' ILE . 22.8 t0 -59.87 -71.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 56' ' ' SER . 61.8 m -53.52 -58.78 5.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' CYS . 85.0 p -33.75 -37.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.3 -48.35 64.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' CYS . 4.1 m -52.43 -50.22 63.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.915 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.812 ' HB3' HD11 ' A' ' 69' ' ' ILE . 14.4 m-70 -57.51 -41.64 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.438 ' CG ' HG13 ' A' ' 69' ' ' ILE . 70.8 mtp180 -54.75 -37.93 66.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.7 t -68.43 -41.21 80.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.416 HD22 HD21 ' A' ' 113' ' ' ASN . 87.2 mt -44.3 -56.31 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 142.46 127.84 2.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -38.26 -31.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -75.48 -43.4 49.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.7 OUTLIER -66.9 -49.15 66.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.1 m -155.45 104.99 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -82.99 128.42 34.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.812 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.3 mm -106.65 152.65 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 21.3 mtt-85 -165.51 122.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 m -55.56 154.06 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.872 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 17.9 p -105.48 -38.79 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -81.35 -43.46 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.1 mt -81.97 -70.57 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.96 124.13 19.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.7 m -127.43 32.63 4.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.55 40.52 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.534 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 7.2 m95 -71.55 157.16 38.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -96.48 138.79 33.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.551 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 66.8 m95 -41.82 -49.11 4.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -65.81 -46.91 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.549 ' CD ' HD13 ' A' ' 45' ' ' ILE . 17.4 mt-30 -61.72 -18.66 60.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.874 HD21 HG23 ' A' ' 16' ' ' ILE . 27.5 mt -78.53 -61.92 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.51 ' O ' HG22 ' A' ' 88' ' ' VAL . 17.7 mmt180 -49.45 -33.82 15.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 70.7 m -52.99 -38.24 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.47 ' HE1' ' HB1' ' A' ' 43' ' ' ALA . 69.2 mmm -66.8 -46.41 75.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.784 ' HA ' HD21 ' A' ' 23' ' ' LEU . 89.4 mt-30 -68.62 -59.61 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 84' ' ' ARG . 18.6 m -51.0 -16.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -107.38 -111.76 3.58 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.05 172.89 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 28' ' ' THR . 2.7 m-20 -73.37 -67.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -40.97 -52.74 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ALA . 66.8 m -34.38 -56.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.32 -48.68 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.038 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.6 t -41.39 -38.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.0 m -91.63 -46.98 7.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' PHE . 6.8 t80 -45.69 -54.63 7.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -51.36 -52.71 43.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' GLN . 15.5 t-160 -57.19 -54.74 43.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' HIS . 7.1 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.523 HG23 ' CD2' ' A' ' 112' ' ' TYR . 61.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.795 0.331 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.99 -3.12 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.8 -48.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.049 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -60.98 -42.15 97.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.602 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 40.3 m-85 -80.54 -30.44 37.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.416 HD21 HD22 ' A' ' 62' ' ' LEU . 16.5 m-80 -84.02 17.88 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 p -101.38 -175.48 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -76.13 -50.74 13.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.84 -48.84 30.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.08 -52.33 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.426 ' NE2' ' HE ' ' A' ' 121' ' ' ARG . 25.2 mm-40 -50.01 -60.9 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.1 mt -38.11 -38.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 121' ' ' ARG . 20.4 t80 -67.18 -63.27 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.634 ' HG2' HG22 ' A' ' 46' ' ' THR . 10.9 mtm105 -36.62 -61.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.58 -53.66 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -46.59 -51.05 16.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 124' ' ' ILE . 24.2 mm -50.62 -50.24 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -51.39 -39.28 56.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.8 m -71.25 -57.77 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 17.3 mt -55.34 -32.49 62.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.426 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -72.18 -20.84 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.1 m -78.05 -33.09 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.551 ' CG ' ' N ' ' A' ' 131' ' ' ALA . 5.4 pt20 -60.55 -50.73 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 130' ' ' GLN . . . -70.14 -33.17 71.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.0 m -74.18 -68.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.549 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.0 Cg_endo -69.73 119.93 6.8 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -75.08 167.84 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -39.01 -67.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -37.79 -67.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -41.84 -53.29 3.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.443 HG23 HD11 ' A' ' 83' ' ' LEU . 68.0 mt -52.43 -39.12 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.46 -37.07 77.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -61.15 -37.44 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.658 HG23 ' NE2' ' A' ' 87' ' ' GLN . 53.9 mt -77.17 -27.54 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' CZ ' HG22 ' A' ' 72' ' ' THR . 8.6 m-85 -84.34 -28.46 27.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -61.94 -36.58 81.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -68.05 -35.27 77.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' A' ' 87' ' ' GLN . 20.7 mt -76.28 -57.92 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -42.5 -50.68 5.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.4 t -38.79 -49.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -55.11 132.1 68.51 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.597 0.713 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 3.04 3.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.583 2.189 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.419 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 69.1 p -112.71 -11.52 13.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -105.6 -25.64 12.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -76.59 5.81 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.8 m -134.4 130.27 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.0 t -43.5 104.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -45.95 -22.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -74.08 -71.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.3 p -96.64 -45.91 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.84 8.29 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.16 127.21 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -68.77 146.01 53.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 37.0 m-80 62.11 51.78 1.93 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.683 0.754 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.5 Cg_endo -69.74 80.35 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.265 . . . . 0.0 112.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 p -41.58 -68.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.424 ' NE1' ' HA ' ' A' ' 53' ' ' ILE . 74.2 m95 -48.5 148.9 1.81 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.48 124.58 6.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -85.12 115.93 23.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.568 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -67.62 -50.04 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 13.3 m -43.66 -57.46 3.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CZ ' ' HD3' ' A' ' 121' ' ' ARG . 63.7 m-85 -90.48 1.52 56.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.35 51.7 11.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 m -132.41 164.71 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -99.83 145.3 27.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.8 mt -141.23 168.61 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.2 p -111.7 149.39 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.4 tp -35.1 -32.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' CYS . 25.7 t0 -69.48 -71.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLY . 84.2 m -56.21 -53.09 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' CYS . 57.1 p -33.24 -35.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -59.38 -48.86 83.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.424 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.687 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.2 m -51.08 -44.53 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.887 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.827 ' HB3' HD11 ' A' ' 69' ' ' ILE . 11.9 m-70 -64.3 -44.03 92.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -54.95 -40.23 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.9 m -61.72 -49.32 76.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 59' ' ' HIS . 59.0 mt -43.85 -60.74 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.451 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 148.82 131.37 2.0 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.534 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.8 m -46.85 -24.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.451 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 37.3 p-80 -75.79 -38.74 57.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.37 -40.86 57.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -157.49 108.57 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -84.62 125.4 32.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.827 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.6 mm -101.32 133.73 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -147.96 125.21 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.8 m -65.04 171.6 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.484 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 69.0 p -112.32 -37.04 5.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -81.82 -45.0 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.01 -68.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.43 114.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' HD11 ' A' ' 16' ' ' ILE . 25.3 p -116.85 -17.75 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -84.65 47.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.568 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.5 m95 -70.81 -175.13 1.03 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' TRP . 3.0 m -130.03 125.26 34.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.549 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 10.8 m95 -34.19 -44.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -64.2 -51.12 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.42 ' HB3' HG21 ' A' ' 45' ' ' ILE . 93.1 mt-30 -60.3 -25.53 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 16' ' ' ILE . 1.8 mm? -65.38 -70.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 87' ' ' GLN . 16.1 mmt-85 -43.59 -44.82 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.8 m -40.13 -37.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.1 mmm -70.05 -38.57 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.658 ' NE2' HG23 ' A' ' 19' ' ' ILE . 21.8 mt-30 -76.1 -64.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 128' ' ' ALA . 27.3 m -39.47 -27.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' GLN . . . -112.44 -117.0 3.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.55 161.29 12.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 28' ' ' THR . 5.4 m-20 -46.7 -68.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -41.35 -56.7 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.7 OUTLIER -33.02 -59.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.534 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -72.76 -41.83 64.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t -40.41 -36.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' PHE . 8.2 m -99.76 -51.42 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.8 t80 -34.09 -57.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -48.32 -53.74 16.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.04 -48.36 82.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.687 HG21 ' HB3' ' A' ' 58' ' ' SER . 64.2 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.734 0.302 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.487 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 15.6 t-20 -77.82 -8.58 58.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.8 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.05 -61.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -44.74 -38.25 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.456 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 60.0 m-85 -85.94 -22.81 27.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 7.7 m-80 -87.7 21.57 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.0 p -113.79 165.45 12.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -42.33 95.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.08 -20.5 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.18 -44.33 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.545 ' CG ' ' N ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -62.37 -51.49 67.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 62.6 mt -45.82 -31.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 94' ' ' ALA . 18.2 t80 -74.66 -56.2 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.471 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 25.0 mtm180 -45.73 -61.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -46.46 -46.88 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -53.58 -52.77 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 mm -50.96 -35.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -68.93 -45.31 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.1 m -63.34 -47.75 80.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 130' ' ' GLN . 50.7 mt -66.35 -55.5 15.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.44 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -36.38 -36.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -64.92 -44.06 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -52.6 -37.34 58.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -86.0 -39.24 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 54.0 m -63.01 -65.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.653 0.74 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.75 140.35 42.49 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.686 2.258 . . . . 0.0 112.371 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.8 m -87.15 170.47 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -42.98 -62.44 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.432 ' H ' ' CD ' ' A' ' 14' ' ' GLN . 11.6 mp0 -45.61 -58.94 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -46.87 -53.49 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.039 HG23 HD21 ' A' ' 83' ' ' LEU . 46.1 mt -55.61 -49.08 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -45.03 -38.11 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' PHE . 21.6 m -60.52 -70.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 18' ' ' THR . 2.0 mp -32.45 -35.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.761 ' CZ ' HG22 ' A' ' 72' ' ' THR . 23.3 m-85 -80.95 -57.22 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' PHE . 7.2 pttp -36.71 -35.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -66.75 -43.91 82.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.828 HD21 ' HA ' ' A' ' 87' ' ' GLN . 23.1 mt -82.46 -54.02 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HG3' ' C ' ' A' ' 20' ' ' PHE . 17.3 mtm180 -38.83 -50.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.7 t -46.77 -45.29 19.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.656 HG12 ' H ' ' A' ' 28' ' ' THR . 17.5 t -50.41 127.86 23.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.716 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 1.56 4.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.656 ' H ' HG12 ' A' ' 26' ' ' VAL . 15.4 p -112.18 -9.3 13.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.412 ' HA ' ' CG ' ' A' ' 91' ' ' ASN . 97.4 m-20 -109.16 -22.76 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 17.2 ptpt -79.07 12.47 2.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 31' ' ' VAL . 28.0 m -132.47 120.91 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 34' ' ' ASP . 9.4 t -39.68 103.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.613 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -41.93 -27.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 2.0 t70 -68.9 -72.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.84 -47.86 5.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.46 11.91 3.58 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.382 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.19 123.51 9.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -69.03 135.46 50.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 6.1 m120 71.04 50.84 0.33 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.8 80.12 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -41.76 -51.48 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.8 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -63.42 146.57 53.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.72 130.91 14.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.061 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -95.66 116.93 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.79 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.552 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 9.5 mt -71.35 -41.82 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.517 HG22 ' CD1' ' A' ' 47' ' ' TYR . 43.9 m -44.8 -54.63 6.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.797 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 m-85 -103.63 22.63 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 32.0 51.37 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.529 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 47' ' ' TYR . 12.7 m -131.41 166.4 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.81 151.52 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 29.1 mt -146.24 169.72 18.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.5 p -114.77 147.28 39.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.5 tp -32.3 -40.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' CYS . 76.1 m-20 -63.11 -66.4 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 56' ' ' SER . 74.0 m -60.9 -56.94 15.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.8 p -32.54 -38.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.95 -48.84 70.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.483 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.0 m -51.19 -47.14 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.79 ' HB3' HD11 ' A' ' 69' ' ' ILE . 14.1 m-70 -60.62 -46.04 91.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -54.81 -37.45 66.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -61.35 -48.78 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.545 HD13 HD23 ' A' ' 66' ' ' LEU . 21.4 mt -47.46 -58.45 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 146.65 123.0 1.44 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.46 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' GLY . 31.7 m -36.76 -32.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.103 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.509 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 44.3 p-80 -66.54 -46.64 75.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -67.36 -48.25 68.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.99 105.29 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -78.4 132.84 37.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.79 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.1 mm -113.78 140.26 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -148.66 143.21 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -83.68 155.83 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.761 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 40.4 p -103.69 -35.3 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.081 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.7 -42.11 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mp -87.05 -65.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.28 114.67 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -124.1 36.08 4.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -122.22 33.27 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.552 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 13.8 m95 -66.62 151.49 47.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' TRP . 16.4 m -101.4 139.13 37.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.557 ' CZ2' ' HB3' ' A' ' 11' ' ' PRO . 45.6 m95 -36.31 -38.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -67.65 -58.52 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.23 -25.7 61.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.039 HD21 HG23 ' A' ' 16' ' ' ILE . 21.1 mt -69.06 -65.88 0.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.458 ' O ' HG22 ' A' ' 88' ' ' VAL . 32.7 mmt-85 -52.92 -35.13 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.8 m -49.5 -32.3 11.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 87.8 mmm -72.03 -40.93 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.788 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.828 ' HA ' HD21 ' A' ' 23' ' ' LEU . 21.6 mt-30 -71.35 -61.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.477 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 28.2 m -46.17 -20.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 87' ' ' GLN . . . -110.59 -102.75 2.71 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.92 154.4 30.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.486 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -45.89 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -32.8 -59.66 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -32.86 -61.66 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.755 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' SER . . . -71.46 -45.57 62.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 94' ' ' ALA . 46.5 t -34.73 -35.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' PHE . 13.3 m -105.52 -49.38 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.9 t80 -34.12 -38.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.05 -53.35 31.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 96' ' ' SER . 3.4 t-160 -67.78 -53.31 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' CD ' ' HA ' ' A' ' 97' ' ' PHE . 7.9 pt20 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.483 HG21 ' HB3' ' A' ' 58' ' ' SER . 94.9 m . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.843 0.354 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.493 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 9.7 t-20 -75.25 -12.33 60.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.6 -59.44 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -43.85 -44.09 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.546 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 35.5 m-85 -78.06 -30.36 49.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 10.5 m-80 -83.86 22.45 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 p -104.59 177.08 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -70.13 -53.81 15.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.6 -39.13 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.86 -52.51 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.66 -61.05 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.6 mt -37.25 -42.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.431 ' O ' ' C ' ' A' ' 121' ' ' ARG . 59.4 t80 -61.45 -65.5 0.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.471 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 29.5 mtm180 -35.02 -64.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -45.24 -53.31 8.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -46.4 -48.32 18.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 40.3 mm -52.71 -40.63 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -63.56 -39.44 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 t -68.54 -57.35 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 17.2 mt -58.44 -43.54 88.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.15 -44.72 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 54.5 p -54.16 -42.26 69.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -52.93 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.94 39.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 86.9 m -62.14 -75.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.523 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.82 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.6 m -72.5 166.75 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -42.53 -60.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -41.26 -63.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.72 -55.04 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.538 HG23 HD11 ' A' ' 83' ' ' LEU . 66.9 mt -50.67 -33.58 11.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.29 -38.11 63.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -64.97 -31.66 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.799 ' O ' HD13 ' A' ' 23' ' ' LEU . 15.7 mt -80.44 -29.53 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.84 ' CZ ' HG22 ' A' ' 72' ' ' THR . 6.9 m-85 -81.9 -37.77 26.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -52.11 -35.23 47.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -73.79 -27.28 61.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.849 HD11 ' HG2' ' A' ' 87' ' ' GLN . 10.8 mp -83.2 -55.72 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.478 ' NE ' ' HB3' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -45.9 -49.73 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -39.46 -49.29 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 28' ' ' THR . 6.1 t -52.16 130.05 40.95 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.664 0.745 . . . . 0.0 111.181 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.86 2.52 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.478 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 72.1 p -112.67 -17.38 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -100.28 -23.71 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -78.03 7.12 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 6.2 m -137.35 125.95 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.1 t -42.84 112.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -51.2 -25.57 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -71.69 -71.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.8 p -97.28 -46.63 6.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.86 10.97 5.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.63 126.87 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -68.49 144.27 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.489 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.4 m-20 62.19 51.28 1.78 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.8 Cg_endo -69.68 80.26 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.409 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 p -42.76 -56.83 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 76.2 m95 -59.2 145.23 43.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB1' ' CE ' ' A' ' 86' ' ' MET . . . -151.86 130.82 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 t -90.5 115.85 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.808 HD13 ' CD ' ' A' ' 82' ' ' GLN . 16.5 mt -70.07 -49.3 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 99.3 m -41.45 -50.72 3.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 49' ' ' VAL . 66.4 m-85 -100.89 4.34 42.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.09 45.13 20.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 47' ' ' TYR . 15.5 m -123.59 165.82 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.327 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -100.4 142.92 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.1 mt -139.53 172.93 12.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' ILE . 27.7 p -118.84 149.14 42.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 54' ' ' ASP . 2.2 tp -31.37 -46.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.502 ' N ' HG23 ' A' ' 53' ' ' ILE . 1.7 m-20 -58.91 -68.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.6 m -59.64 -58.32 9.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' CYS . 65.7 p -31.78 -37.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -56.61 -49.65 68.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' CYS . 2.0 m -48.27 -50.97 27.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.806 ' HB3' HD11 ' A' ' 69' ' ' ILE . 21.3 m-70 -57.39 -49.27 76.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.816 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 12.7 mtp-105 -52.68 -36.03 56.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -64.65 -47.88 76.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.657 HD13 HD23 ' A' ' 66' ' ' LEU . 16.7 mt -46.92 -60.77 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' HIS . . . 147.16 127.02 1.74 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.3 m -39.33 -27.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' GLY . 38.1 p-80 -68.7 -44.2 74.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.657 HD23 HD13 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -72.19 -49.55 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -152.54 117.37 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -88.44 137.95 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.806 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.1 mm -117.39 135.81 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.106 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -147.08 141.46 26.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -82.91 144.43 30.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.84 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 66.6 p -93.26 -39.95 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.73 -45.48 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 mt -78.79 -67.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -71.65 121.74 19.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 m -122.76 31.77 5.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -121.59 45.62 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.565 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 10.3 m95 -73.81 -177.85 2.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' TRP . 1.8 m -123.45 131.18 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.523 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 15.1 m95 -33.75 -49.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -62.72 -47.11 85.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.808 ' CD ' HD13 ' A' ' 45' ' ' ILE . 14.7 mt-30 -62.47 -26.2 68.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.538 HD11 HG23 ' A' ' 16' ' ' ILE . 3.8 mm? -65.83 -60.78 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.707 HH11 ' HB1' ' A' ' 131' ' ' ALA . 8.9 mmt85 -55.63 -38.99 70.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.421 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.2 m -40.73 -45.2 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.492 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 71.5 mmm -64.04 -34.44 78.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.849 ' HG2' HD11 ' A' ' 23' ' ' LEU . 33.2 mt-30 -72.85 -42.71 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 9.7 m -81.34 19.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.34 -101.1 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.23 149.39 15.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.412 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 28' ' ' THR . 3.4 m-20 -52.76 -67.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -33.92 -64.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -30.35 -64.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.47 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 t -39.12 -34.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' PHE . 20.3 m -103.99 -50.12 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.2 t80 -33.53 -53.15 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.48 ' CZ ' ' HE3' ' A' ' 111' ' ' LYS . 24.7 m-85 -49.99 -54.5 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -63.28 -49.97 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.498 HG23 ' CE2' ' A' ' 112' ' ' TYR . 86.7 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.85 0.357 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 19.4 t-20 -78.14 -13.42 59.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.22 -58.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 98' ' ' PHE . 37.3 tttp -41.91 -44.03 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.632 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 17.0 m-85 -78.93 -30.78 44.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.9 m-80 -84.74 17.93 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.0 p -100.44 166.18 11.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -63.92 -47.6 79.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.72 -36.19 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.53 -51.04 55.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' LEU . 23.9 mt-30 -52.7 -61.21 2.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 118' ' ' GLN . 76.5 mt -34.35 -43.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.738 ' CE1' HD11 ' A' ' 124' ' ' ILE . 19.7 t80 -60.56 -64.77 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.482 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.0 mtm105 -37.65 -63.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -45.67 -53.31 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -50.35 -42.22 52.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.738 HD11 ' CE1' ' A' ' 120' ' ' TYR . 47.3 mm -56.47 -33.71 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -70.2 -52.42 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.9 t -54.23 -40.8 68.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.474 HD23 ' OE1' ' A' ' 130' ' ' GLN . 52.7 mt -78.2 -54.46 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.87 -42.52 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 p -58.12 -40.32 80.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.474 ' OE1' HD23 ' A' ' 127' ' ' LEU . 38.7 mt-30 -53.71 -71.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.707 ' HB1' HH11 ' A' ' 84' ' ' ARG . . . -46.6 -47.15 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 84' ' ' ARG . 96.7 m -60.72 -72.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.81 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.507 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.75 130.92 20.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -70.73 170.41 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -54.07 -59.53 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -41.14 -58.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -49.48 -53.73 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.851 HG23 HD21 ' A' ' 83' ' ' LEU . 58.1 mt -53.99 -35.01 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.26 -30.82 67.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 8.2 m -68.36 -49.35 60.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 83' ' ' LEU . 83.9 mt -61.01 -28.58 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -83.41 -49.26 9.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.2 pttp -48.79 -38.09 21.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -61.74 -35.59 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.591 HD21 ' HA ' ' A' ' 87' ' ' GLN . 80.0 mt -87.71 -60.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' LEU . 18.4 mtp180 -35.23 -47.04 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -41.44 -47.86 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.499 HG12 ' H ' ' A' ' 28' ' ' THR . 15.5 t -53.72 131.66 56.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 111.187 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 7.48 1.0 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.499 ' H ' HG12 ' A' ' 26' ' ' VAL . 16.5 p -117.18 -12.06 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -105.45 -23.13 12.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -80.22 9.15 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 16.5 m -135.08 118.55 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' GLY . 15.8 t -34.56 107.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.15 -26.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.2 -71.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.6 p -98.52 -44.99 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 121.94 11.44 5.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.22 122.36 8.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -64.88 141.74 58.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.542 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 54.2 m-20 64.68 48.35 0.72 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.4 Cg_endo -69.65 81.32 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.433 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 p -43.51 -68.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.469 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 71.6 m95 -45.6 145.41 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.32 130.26 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.3 t -92.01 114.51 27.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.556 HD13 ' CD ' ' A' ' 82' ' ' GLN . 17.1 mt -66.66 -46.25 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.467 HG21 ' HD2' ' A' ' 121' ' ' ARG . 89.5 m -42.12 -61.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.65 ' O ' HG13 ' A' ' 49' ' ' VAL . 51.9 m-85 -94.68 15.64 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.69 54.27 1.09 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 47' ' ' TYR . 5.9 m -131.28 165.19 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 111.07 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -98.95 143.75 28.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -139.14 168.83 18.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.3 p -114.37 149.19 36.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.469 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 5.3 tp -32.11 -43.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' N ' HG23 ' A' ' 53' ' ' ILE . 10.9 t70 -61.43 -71.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' GLY . 77.8 m -55.84 -56.46 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 55' ' ' CYS . 60.6 p -33.6 -35.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.79 -48.24 83.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.575 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.1 m -52.21 -44.97 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.805 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.873 ' HB3' HD11 ' A' ' 69' ' ' ILE . 11.1 m-70 -61.42 -47.59 85.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -48.99 -38.06 22.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -64.71 -47.48 78.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.751 ' HB3' HD13 ' A' ' 66' ' ' LEU . 76.1 mt -44.87 -47.25 11.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 129.1 133.55 3.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.551 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.5 m -46.21 -25.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.4 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 34.2 p-80 -77.03 -35.31 57.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.7 tt -79.63 -39.21 32.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -162.26 105.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -79.94 127.79 32.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.873 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.8 mm -104.14 147.24 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -163.07 123.79 2.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.4 m -60.55 -176.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.1 p -118.59 -32.25 4.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.06 -53.6 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.28 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.77 117.7 5.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.0 p -124.37 -20.04 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -81.32 40.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.465 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 6.9 m95 -65.01 176.03 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' TRP . 15.2 m -118.37 124.72 48.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.507 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 74.4 m95 -33.38 -53.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.66 -49.76 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.556 ' CD ' HD13 ' A' ' 45' ' ' ILE . 61.5 mt-30 -54.12 -45.22 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.851 HD21 HG23 ' A' ' 16' ' ' ILE . 8.3 mt -53.57 -59.4 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.882 HH11 ' HB1' ' A' ' 131' ' ' ALA . 11.5 mmt85 -45.98 -48.99 16.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.524 ' HA ' HG22 ' A' ' 88' ' ' VAL . 80.4 m -40.42 -32.08 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 86.0 mmm -72.32 -42.75 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.591 ' HA ' HD21 ' A' ' 23' ' ' LEU . 26.0 mt-30 -72.27 -38.16 68.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 85' ' ' CYS . 14.3 m -83.12 23.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.1 -92.45 0.24 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.36 164.27 38.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.524 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.14 -64.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -43.91 -49.8 8.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.055 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' ALA . 1.8 m -34.36 -54.23 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -70.48 -51.12 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.7 t -35.76 -36.94 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' PHE . 65.7 m -97.74 -54.89 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' SER . 43.1 t80 -34.53 -49.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 117' ' ' ALA . 27.7 m-85 -61.16 -59.93 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -50.42 -56.8 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.896 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.575 HG21 ' HB3' ' A' ' 58' ' ' SER . 87.6 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.743 0.306 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 19.9 t-20 -77.02 -7.71 56.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.59 -59.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 37.6 tttp -45.56 -39.79 7.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 46.9 m-85 -83.69 -27.91 28.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 17.4 m-80 -87.49 21.03 2.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.5 p -106.81 175.67 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -67.61 -53.33 29.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.05 16.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.533 ' HA ' ' CZ ' ' A' ' 98' ' ' PHE . . . -62.63 -53.82 48.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 119' ' ' LEU . 16.6 mm-40 -50.11 -63.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 118' ' ' GLN . 43.2 mt -35.94 -38.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.593 ' CE1' HD11 ' A' ' 124' ' ' ILE . 24.5 t80 -61.8 -62.64 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.467 ' HD2' HG21 ' A' ' 46' ' ' THR . 12.6 mtm105 -38.67 -65.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -47.42 -53.86 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.22 -49.83 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 120' ' ' TYR . 22.0 mm -55.92 -40.98 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -57.13 -40.15 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 m -68.19 -68.41 0.39 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.457 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 7.9 mt -47.25 -41.21 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.475 ' N ' HG21 ' A' ' 88' ' ' VAL . . . -58.88 -38.47 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 9.8 t -63.72 -33.12 74.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.39 -59.86 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.882 ' HB1' HH11 ' A' ' 84' ' ' ARG . . . -51.06 -53.24 35.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 133' ' ' ARG . 6.9 m -61.48 -59.55 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 132' ' ' THR . 4.3 tpt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 p30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.651 0.739 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.3 Cg_endo -69.72 150.48 68.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.405 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.8 m -101.35 165.62 11.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -58.04 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.7 -56.21 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -55.0 -48.41 73.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.848 HG23 HD21 ' A' ' 83' ' ' LEU . 64.7 mt -56.62 -46.62 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.1 mt -50.63 -35.54 30.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 20' ' ' PHE . 98.1 m -62.4 -68.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.203 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.572 HD13 HD13 ' A' ' 83' ' ' LEU . 2.2 mp -36.84 -33.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.696 ' CZ ' HG22 ' A' ' 72' ' ' THR . 16.4 m-85 -82.65 -53.38 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -44.6 -24.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -77.26 -43.56 32.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.925 HD21 ' HA ' ' A' ' 87' ' ' GLN . 31.9 mt -81.69 -53.8 5.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' SER . 61.5 mtm180 -45.35 -49.78 12.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.789 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ARG . 5.2 t -36.63 -51.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 26' ' ' VAL . 4.9 t -51.58 132.51 35.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 7.65 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.68 2.254 . . . . 0.0 112.38 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -115.12 -13.57 11.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 92.1 m-20 -106.81 -20.74 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -81.78 12.43 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' CYS . 4.7 m -134.03 117.16 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' VAL . 18.3 t -34.0 98.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -39.88 -27.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' CYS . 3.4 t0 -69.22 -71.48 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.53 -44.81 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 125.46 6.44 6.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.87 124.6 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.065 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -69.94 144.74 52.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.6 m-20 63.0 48.68 1.03 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.752 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.65 80.12 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.358 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 m -41.26 -64.05 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -47.96 138.99 8.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.38 126.03 17.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 t -93.26 110.82 22.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.573 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -65.2 -40.06 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 89.6 m -46.2 -60.28 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.863 ' O ' HG13 ' A' ' 49' ' ' VAL . 22.6 m-85 -95.51 17.19 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.34 47.84 0.82 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.863 HG13 ' O ' ' A' ' 47' ' ' TYR . 23.2 m -127.88 178.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 111.121 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.547 ' O ' HD23 ' A' ' 51' ' ' LEU . 61.1 m-85 -109.79 149.98 29.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 50' ' ' PHE . 24.1 mt -146.48 172.88 12.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' ILE . 22.8 p -117.89 150.13 39.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.7 tp -33.55 -39.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.04 -71.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 56' ' ' SER . 78.4 m -55.96 -56.46 20.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.482 ' C ' ' O ' ' A' ' 55' ' ' CYS . 60.7 p -31.08 -43.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.507 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -53.6 -48.9 59.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.507 ' HB3' HG21 ' A' ' 108' ' ' THR . 1.9 m -48.09 -43.15 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.747 ' HB3' HD11 ' A' ' 69' ' ' ILE . 16.7 m-70 -66.67 -45.15 79.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.507 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 41.4 mtm180 -50.19 -45.03 53.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 t -57.43 -47.11 82.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.699 ' HB3' HD13 ' A' ' 66' ' ' LEU . 76.2 mt -46.15 -47.89 17.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.417 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 133.4 129.77 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 m -43.42 -26.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.417 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 35.6 p-80 -75.86 -39.77 55.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.699 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.8 tt -73.29 -42.19 62.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 105.0 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -80.42 128.21 33.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.747 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.7 mm -108.63 147.91 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 78' ' ' TRP . 26.2 mtp180 -157.19 125.54 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -65.0 161.81 17.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.696 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 28.1 p -105.02 -33.59 8.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -83.56 -62.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.34 -68.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.22 118.88 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 m -130.41 34.78 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -123.82 38.26 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.573 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 15.1 m95 -73.13 142.5 47.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.14 149.79 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 9.8 m95 -52.15 -36.67 52.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.19 -47.16 52.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 90.4 mt-30 -61.72 -41.99 98.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.848 HD21 HG23 ' A' ' 16' ' ' ILE . 44.7 mt -53.73 -54.14 42.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 34.5 mmt-85 -55.3 -41.64 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 82' ' ' GLN . 81.1 m -45.1 -30.06 1.03 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.555 ' C ' HD11 ' A' ' 23' ' ' LEU . 82.8 mmm -76.0 -37.85 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.925 ' HA ' HD21 ' A' ' 23' ' ' LEU . 20.0 mt-30 -73.27 -54.81 7.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.474 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 27.9 m -56.34 -12.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.88 -129.17 4.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.71 166.96 11.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -62.63 -74.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -37.55 -50.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' ALA . 38.0 m -35.2 -52.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.89 -46.88 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -38.09 -41.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.9 t -90.74 -49.91 6.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -40.39 -50.45 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -55.25 -59.03 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 100' ' ' GLN . 2.9 t-160 -55.94 -59.71 4.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 99' ' ' HIS . 14.1 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.507 HG21 ' HB3' ' A' ' 58' ' ' SER . 98.4 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.751 0.31 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.491 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 20.8 t-20 -71.76 -4.53 28.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.94 -53.6 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -51.45 -40.59 59.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.47 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 61.7 m-85 -83.73 -27.51 28.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 17.7 m-80 -87.2 20.56 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.5 p -102.44 170.91 7.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.588 ' NE ' HD21 ' A' ' 119' ' ' LEU . 18.1 tpt180 -62.8 -56.26 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.16 -48.08 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.066 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.93 -50.28 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -58.38 -60.58 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.588 HD21 ' NE ' ' A' ' 115' ' ' ARG . 49.2 mt -38.8 -37.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -65.13 -60.9 2.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.49 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.6 mtm105 -39.5 -64.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -45.64 -51.84 11.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -50.85 -48.94 59.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.7 mm -50.95 -44.87 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -57.94 -45.73 86.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 m -57.72 -67.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.474 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 29.0 mt -46.85 -51.42 16.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.44 -43.66 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.7 m -53.94 -46.92 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -51.11 -57.49 8.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.409 ' HB1' ' HD2' ' A' ' 84' ' ' ARG . . . -64.59 -37.24 86.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 133' ' ' ARG . 86.6 m -62.71 -67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 132' ' ' THR . 27.6 ttt85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.05 3.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.658 2.238 . . . . 0.0 112.393 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -67.49 164.96 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -44.69 -63.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -39.71 -56.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' HD12 ' A' ' 19' ' ' ILE . 6.4 m-20 -50.8 -50.29 56.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.891 HG23 HD11 ' A' ' 83' ' ' LEU . 38.4 mt -59.77 -43.32 91.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.3 mt -50.68 -35.86 32.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' PHE . 96.3 m -64.54 -69.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.71 HG23 ' CG ' ' A' ' 87' ' ' GLN . 4.4 mp -32.99 -36.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.692 ' CZ ' HG22 ' A' ' 72' ' ' THR . 23.2 m-85 -82.53 -54.45 5.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -39.91 -29.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' PHE . 37.0 ttt180 -78.27 -46.5 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -73.97 -59.68 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 17.6 mtm105 -40.62 -48.35 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 t -43.79 -41.34 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG12 ' H ' ' A' ' 28' ' ' THR . 24.0 t -58.01 134.66 83.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.648 0.737 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.434 ' HD2' HG13 ' A' ' 26' ' ' VAL . 53.9 Cg_endo -69.78 10.35 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.494 ' H ' HG12 ' A' ' 26' ' ' VAL . 48.2 p -121.99 -12.15 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.455 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 97.7 m-20 -104.66 -25.83 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -75.3 5.77 5.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.578 HG12 ' HG3' ' A' ' 38' ' ' LYS . 18.2 m -133.43 128.67 55.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' GLY . 16.1 t -44.15 112.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -52.67 -28.51 21.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.83 -67.87 0.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.9 p -101.21 -49.15 4.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 129.4 9.14 3.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.5 121.83 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.578 ' HG3' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.28 141.12 54.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 47.1 t30 70.36 50.92 0.37 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.689 0.757 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.5 Cg_endo -69.77 81.33 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.386 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.6 p -44.48 -48.54 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 75.4 m95 -70.27 150.74 46.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.26 128.01 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -91.95 111.44 22.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.558 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 15.7 mt -64.14 -45.41 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -40.86 -59.67 1.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.582 ' O ' HG13 ' A' ' 49' ' ' VAL . 80.7 m-85 -96.01 14.13 24.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.54 48.18 2.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 47' ' ' TYR . 5.2 m -126.84 168.58 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 29' ' ' ASN . 44.4 m-85 -99.99 143.56 30.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 39.0 mt -138.61 165.62 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.0 p -111.73 149.53 31.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.48 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 3.2 tp -35.55 -31.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' CYS . 8.7 t70 -71.36 -70.75 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' SER . 84.7 m -54.82 -53.71 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' CYS . 69.6 p -33.21 -46.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.77 -47.83 30.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.808 ' HB3' HG21 ' A' ' 108' ' ' THR . 1.8 m -52.63 -45.11 66.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.833 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.89 ' HB3' HD11 ' A' ' 69' ' ' ILE . 17.7 m-70 -62.24 -48.24 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -50.74 -31.73 17.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t -69.69 -51.0 38.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.904 ' HB3' HD13 ' A' ' 66' ' ' LEU . 42.0 mt -45.05 -41.32 7.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 124.59 129.99 3.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -42.2 -29.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.497 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 41.4 p-80 -70.6 -39.18 73.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.904 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.7 tt -74.13 -43.46 57.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -157.11 105.06 2.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -76.57 132.29 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.89 HD11 ' HB3' ' A' ' 59' ' ' HIS . 4.9 mm -107.13 153.18 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 9.4 mtp85 -168.47 124.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.8 m -62.82 -176.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.692 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 20.7 p -119.66 -47.94 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.11 -49.65 16.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.34 -65.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.59 111.32 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p -118.83 -14.64 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -79.22 43.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.558 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 10.0 m95 -72.6 -174.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.624 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -129.71 148.49 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -52.81 -35.05 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -74.46 -41.67 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -67.99 -30.44 69.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.891 HD11 HG23 ' A' ' 16' ' ' ILE . 3.7 mm? -63.68 -61.72 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 12.5 mmt180 -54.76 -36.69 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 m -45.53 -47.22 14.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.4 mmm -63.08 -38.72 92.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.71 ' CG ' HG23 ' A' ' 19' ' ' ILE . 17.3 mt-30 -69.44 -60.47 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 35.8 m -48.98 -26.33 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.41 -127.65 5.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.32 175.66 14.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.403 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 2.0 m-20 -66.46 -61.64 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -45.2 -48.96 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.2 m -38.45 -55.02 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.482 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -69.87 -45.59 67.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' ALA . 26.9 t -37.11 -39.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 97' ' ' PHE . 49.7 m -100.38 -47.63 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 96' ' ' SER . 3.3 t80 -35.7 -54.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -57.21 -64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -45.07 -56.76 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.808 HG21 ' HB3' ' A' ' 58' ' ' SER . 92.1 m . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.769 0.319 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -90.09 -6.91 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.28 -39.64 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -65.46 -45.29 84.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.428 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 66.3 m-85 -79.95 -13.38 59.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -102.61 21.59 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 p -106.59 165.35 11.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -56.93 -55.01 40.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.53 -50.46 9.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.43 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -51.86 -60.53 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.7 mt -41.24 -39.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.444 ' CE1' HD11 ' A' ' 124' ' ' ILE . 23.6 t80 -61.36 -60.15 4.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 11.3 mtm105 -41.7 -65.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -47.28 -48.68 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 123' ' ' LYS . 18.0 ttpt -51.71 -60.38 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.444 HD11 ' CE1' ' A' ' 120' ' ' TYR . 33.4 mm -40.3 -48.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -54.58 -43.2 71.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.6 t -61.86 -59.34 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 7.2 mt -55.09 -54.49 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -39.27 -47.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.1 t -53.24 -49.84 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -44.99 -56.62 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 84' ' ' ARG . . . -68.36 -33.63 74.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 133' ' ' ARG . 89.6 m -66.92 -74.14 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' THR . 10.7 mtt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.602 0.715 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.74 122.53 9.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -66.26 162.89 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -44.78 -66.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HA ' HD12 ' A' ' 17' ' ' LEU . 4.2 pt20 -41.41 -48.53 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -54.8 -50.44 68.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.936 HG23 HD21 ' A' ' 83' ' ' LEU . 59.6 mt -59.26 -36.29 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 14' ' ' GLN . 96.5 mt -56.04 -38.41 70.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' PHE . 74.7 m -64.22 -67.66 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' THR . 1.7 mp -33.07 -36.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.686 ' CZ ' HG22 ' A' ' 72' ' ' THR . 35.2 m-85 -85.3 -60.61 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' PHE . 8.2 ptmt -35.54 -33.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' PHE . 40.7 ttt-85 -67.67 -46.71 71.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.724 HD21 ' HA ' ' A' ' 87' ' ' GLN . 44.9 mt -76.16 -41.18 50.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -48.86 -49.15 40.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.9 t -42.3 -44.64 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.498 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 5.4 t -54.85 136.82 65.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.552 0.691 . . . . 0.0 111.17 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.498 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.0 Cg_endo -69.7 -34.09 15.47 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.1 p -81.32 -9.14 59.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' HA ' ' CG ' ' A' ' 91' ' ' ASN . 17.3 m-20 -103.2 -29.76 11.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 14.4 ptpt -79.56 13.81 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.2 m -134.02 121.54 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 15.1 t -40.63 102.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.641 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -41.86 -26.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 2.2 t70 -71.03 -72.35 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.4 p -97.04 -47.27 5.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.95 10.62 4.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.7 122.21 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -65.46 146.6 54.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.1 m-20 60.78 51.75 2.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.68 80.13 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 p -41.58 -60.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -54.42 143.86 22.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -146.44 126.08 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -93.3 110.37 21.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.591 HD13 ' CD ' ' A' ' 82' ' ' GLN . 12.7 mt -63.68 -38.08 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 3.2 m -40.72 -64.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.585 ' O ' HG13 ' A' ' 49' ' ' VAL . 23.4 m-85 -98.85 15.37 25.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 43.88 44.52 7.2 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 47' ' ' TYR . 16.1 m -122.22 164.41 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -98.45 147.67 24.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 16.7 mt -143.35 171.67 13.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' ILE . 25.9 p -116.34 147.42 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.6 tp -33.55 -43.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 53' ' ' ILE . 1.4 m-20 -59.06 -59.38 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 56' ' ' SER . 95.8 m -68.76 -59.05 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.1 p -32.21 -39.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.53 -49.49 60.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.452 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.444 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.1 m -52.34 -45.31 65.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.379 . . . . 0.0 110.802 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.802 ' HB3' HD11 ' A' ' 69' ' ' ILE . 14.4 m-70 -60.31 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -54.74 -33.18 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.7 t -65.06 -47.68 76.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.82 ' HB3' HD13 ' A' ' 66' ' ' LEU . 36.9 mt -48.08 -52.24 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 138.75 129.62 2.69 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.546 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 65' ' ' HIS . 16.1 m -36.27 -41.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.443 ' N ' HG23 ' A' ' 64' ' ' VAL . 16.5 p-80 -63.12 -42.78 99.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.4 mt -68.14 -43.37 78.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.64 105.27 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.413 ' CE2' ' HD3' ' A' ' 70' ' ' ARG . 8.2 t80 -77.82 121.54 24.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.802 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.9 mm -107.56 141.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.6 ' HB2' ' CZ2' ' A' ' 78' ' ' TRP . 7.2 mmm180 -150.98 149.17 29.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 m -86.72 146.4 26.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.686 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 78.6 p -92.32 -30.51 15.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.157 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -93.69 -55.36 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.8 -70.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.13 120.57 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -122.66 33.1 5.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.432 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 0.9 OUTLIER -120.45 36.28 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.6 ' CZ2' ' HB2' ' A' ' 70' ' ' ARG . 11.7 m95 -70.83 145.72 50.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 80' ' ' TRP . 51.4 p -93.47 137.09 33.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.5 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 91.0 m95 -33.23 -39.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 79' ' ' SER . 22.5 t80 -66.91 -63.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.591 ' CD ' HD13 ' A' ' 45' ' ' ILE . 27.0 mt-30 -47.87 -34.95 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.936 HD21 HG23 ' A' ' 16' ' ' ILE . 15.4 mt -62.84 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 58.3 mmt-85 -54.74 -32.97 60.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.0 m -50.88 -24.82 3.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 71.4 mmm -79.77 -43.88 21.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.724 ' HA ' HD21 ' A' ' 23' ' ' LEU . 20.2 mt-30 -67.89 -58.3 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.0 m -48.5 -19.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.33 -114.83 4.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.12 155.95 10.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.415 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.422 ' CG ' ' HA ' ' A' ' 29' ' ' ASN . 1.4 m-20 -56.1 -64.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.26 -47.54 46.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -39.38 -47.94 1.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.59 -49.42 14.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.3 t -37.98 -41.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 97' ' ' PHE . 16.3 m -90.19 -56.75 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 96' ' ' SER . 4.6 t80 -34.17 -58.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -49.69 -53.23 25.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -57.31 -53.87 53.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 58' ' ' SER . 97.0 m . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.838 0.351 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -79.95 -7.85 59.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.06 -51.73 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -51.71 -43.6 62.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.457 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 52.7 m-85 -80.76 -27.55 36.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.485 HD21 HD22 ' A' ' 62' ' ' LEU . 14.5 m-80 -87.29 22.56 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.6 p -113.59 164.32 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.451 ' HD2' ' CD ' ' A' ' 118' ' ' GLN . 2.6 tpt180 -56.28 -55.42 33.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -41.2 -28.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.2 -43.78 20.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.498 ' CG ' ' N ' ' A' ' 119' ' ' LEU . 3.9 pt20 -62.69 -48.01 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.498 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 84.8 mt -48.77 -30.27 5.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -77.84 -50.81 11.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.48 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 26.5 mtm180 -54.08 -60.64 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -46.12 -42.14 13.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -62.21 -41.57 98.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.85 -37.94 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -67.19 -33.78 76.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 m -73.23 -44.07 60.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 130' ' ' GLN . 25.4 mt -69.36 -60.89 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -33.91 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 127' ' ' LEU . 9.1 t -61.26 -47.45 85.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 127' ' ' LEU . 6.3 pt20 -50.27 -44.54 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.451 ' N ' ' CG ' ' A' ' 130' ' ' GLN . . . -77.12 -37.39 54.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.2 m -69.55 -68.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.673 0.749 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.438 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.72 108.63 2.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.651 2.234 . . . . 0.0 112.4 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.0 m -63.42 166.58 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -60.14 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.696 ' HA ' HD12 ' A' ' 17' ' ' LEU . 4.5 pt20 -44.63 -45.89 9.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -63.28 -51.58 65.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.701 HG23 HD11 ' A' ' 83' ' ' LEU . 67.6 mt -55.12 -44.57 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 14' ' ' GLN . 17.6 mt -53.87 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' ILE . 12.0 m -39.25 -72.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.631 HG23 ' NE2' ' A' ' 87' ' ' GLN . 75.0 mt -33.84 -39.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.535 ' CZ ' HG22 ' A' ' 72' ' ' THR . 4.8 m-85 -75.68 -58.52 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 1.5 ptpp? -43.62 -39.3 3.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 3.8 tmm_? -59.59 -38.22 80.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.604 HD21 ' HA ' ' A' ' 87' ' ' GLN . 72.9 mt -82.89 -40.41 20.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' SER . 66.4 mtp85 -52.8 -46.46 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' ARG . 1.1 t -38.23 -50.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.437 ' H ' HG23 ' A' ' 26' ' ' VAL . 2.5 t -53.07 133.69 49.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HA ' ' HG2' ' A' ' 30' ' ' LYS . 53.6 Cg_endo -69.88 -14.73 36.09 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.43 ' H ' HG12 ' A' ' 26' ' ' VAL . 66.4 p -94.02 -14.2 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -101.48 -30.18 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.1 ptpt -75.3 8.19 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.408 HG12 ' HG2' ' A' ' 38' ' ' LYS . 16.4 m -132.47 121.66 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 13.5 t -38.34 109.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.532 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -49.02 -26.08 2.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.65 -71.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.2 p -98.24 -47.54 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.69 8.73 4.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.78 119.28 3.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.383 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG2' HG12 ' A' ' 31' ' ' VAL . 34.8 mttp -65.39 139.64 58.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 36.6 m-80 67.52 52.47 0.63 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.695 0.759 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.76 81.53 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.674 2.249 . . . . 0.0 112.29 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -46.83 -50.98 17.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.445 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 90.0 m95 -62.3 143.42 56.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.92 138.29 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 t -104.68 106.46 16.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.576 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.2 mt -57.46 -45.55 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -40.18 -62.73 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.578 ' O ' HG13 ' A' ' 49' ' ' VAL . 63.5 m-85 -95.46 16.47 16.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 37.63 40.27 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 47' ' ' TYR . 3.8 m -117.29 173.77 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -107.97 148.25 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 21.7 mt -142.93 173.27 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.6 p -114.51 153.13 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.445 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 3.1 tp -37.94 -32.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -71.82 -73.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 56' ' ' SER . 85.3 m -51.06 -55.26 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' CYS . 79.4 p -34.42 -45.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.511 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -51.28 -45.33 52.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.753 ' HB3' HG21 ' A' ' 108' ' ' THR . 1.8 m -52.45 -43.28 64.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.813 ' HB3' HD11 ' A' ' 69' ' ' ILE . 11.6 m-70 -64.85 -46.97 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.511 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 38.8 mtm180 -49.18 -38.93 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' LEU . 25.3 t -63.83 -57.6 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 59' ' ' HIS . 13.7 mt -37.02 -50.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 137.45 126.92 2.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.7 m -43.05 -24.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 111.185 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.48 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 35.9 p-80 -72.67 -40.08 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -72.03 -50.75 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -149.19 105.78 3.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -76.85 132.98 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.813 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.1 mm -109.53 147.81 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' NH1' ' CG ' ' A' ' 75' ' ' ASP . 17.1 mtt-85 -165.76 130.59 2.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.4 m -68.33 179.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.535 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 51.5 p -116.2 -46.62 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.5 -48.76 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mt -72.88 -64.53 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.453 ' CG ' ' NH1' ' A' ' 70' ' ' ARG . 41.3 m-20 -63.82 121.63 14.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 4.7 p -124.94 -15.73 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -82.04 40.86 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.1 m95 -70.74 -174.69 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.593 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -129.14 148.17 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.874 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.438 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 23.5 m95 -52.07 -35.25 46.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -71.5 -46.83 58.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -67.93 -27.77 66.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.701 HD11 HG23 ' A' ' 16' ' ' ILE . 1.8 mm? -64.72 -62.32 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HE ' ' HB1' ' A' ' 131' ' ' ALA . 18.1 mmt-85 -60.01 -32.3 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 5.8 m -48.56 -30.44 5.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.5 mmm -75.57 -43.88 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.631 ' NE2' HG23 ' A' ' 19' ' ' ILE . 15.4 mt-30 -66.51 -58.82 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 33.5 m -48.43 -20.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.64 -124.27 5.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.7 152.19 8.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.518 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.56 -51.62 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -56.98 -52.63 64.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 92' ' ' ALA . 24.2 m -36.19 -55.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.803 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -69.15 -45.91 68.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 94' ' ' ALA . 5.3 t -36.61 -37.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' PHE . 7.2 m -99.07 -50.36 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' SER . 24.5 t80 -36.22 -49.87 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.483 ' CZ ' ' HE3' ' A' ' 111' ' ' LYS . 19.3 m-85 -53.06 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -50.42 -55.0 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.862 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.753 HG21 ' HB3' ' A' ' 58' ' ' SER . 32.1 m . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.752 0.31 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 24.9 t-20 -78.34 -2.61 38.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.59 -50.53 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HE3' ' CZ ' ' A' ' 98' ' ' PHE . 30.1 tttp -54.75 -42.83 72.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.435 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 54.7 m-85 -82.28 -25.49 33.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.9 m-80 -86.82 18.13 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.7 p -97.82 -178.2 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -79.65 -44.26 21.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.95 -39.81 72.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.42 -50.73 66.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -49.99 -55.91 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 63.7 mt -47.59 -35.06 8.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.803 ' CE2' ' HB2' ' A' ' 94' ' ' ALA . 12.0 t80 -62.01 -47.35 85.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 7.6 mtm105 -58.77 -58.56 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.815 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.525 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 11.3 pt-20 -52.31 -41.25 62.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 122' ' ' GLU . 18.0 ttmt -59.73 -45.4 92.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 35.2 mm -59.11 -33.85 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -63.35 -40.68 97.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 m -67.9 -54.18 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.592 HD23 ' OE1' ' A' ' 130' ' ' GLN . 19.8 mt -61.2 -53.45 56.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.434 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -43.42 -38.99 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.2 m -66.86 -33.76 76.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.592 ' OE1' HD23 ' A' ' 127' ' ' LEU . 39.5 mt-30 -57.36 -57.31 13.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.471 ' HB1' ' HE ' ' A' ' 84' ' ' ARG . . . -64.39 -40.65 96.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 84.8 m -59.42 -51.53 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.543 0.687 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.553 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.5 Cg_endo -69.79 117.3 5.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -61.71 163.15 7.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -43.57 -60.94 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -42.64 -55.03 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -50.39 -54.1 24.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.069 HG23 HD21 ' A' ' 83' ' ' LEU . 49.4 mt -54.22 -47.89 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.9 mt -46.68 -36.19 6.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' PHE . 52.0 m -64.42 -70.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.64 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.6 mp -32.37 -35.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' A' ' 72' ' ' THR . 24.1 m-85 -83.62 -54.39 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' A' ' 22' ' ' ARG . 1.6 ptmm? -38.98 -41.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 21' ' ' LYS . 13.7 ttt-85 -62.0 -44.12 97.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 87' ' ' GLN . 54.8 mt -76.63 -58.84 3.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' LEU . 50.6 mtp180 -36.43 -52.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -39.03 -45.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 27' ' ' PRO . 25.7 t -60.19 137.31 91.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 26' ' ' VAL . 54.0 Cg_endo -69.76 11.88 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.449 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 12.0 p -114.94 -25.99 7.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -93.4 -30.1 15.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 16.2 ptpt -71.18 0.55 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 m -132.3 133.93 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 34' ' ' ASP . 46.9 t -50.07 127.56 16.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.3 -33.08 72.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.529 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 4.0 m-20 -65.03 -72.14 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.6 p -96.85 -55.39 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 32' ' ' CYS . . . 130.36 19.65 1.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.553 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.78 128.34 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -66.21 142.52 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.442 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 48.8 t30 63.44 53.77 1.67 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.578 0.704 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.76 80.78 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.397 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 p -44.59 -65.81 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -51.85 149.0 5.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.69 122.29 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.4 t -85.82 120.1 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.797 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.543 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 15.8 mt -72.84 -39.45 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 13.5 m -47.19 -54.9 9.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.669 ' O ' HG13 ' A' ' 49' ' ' VAL . 52.4 m-85 -96.42 10.94 36.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 41.34 50.6 4.57 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 47' ' ' TYR . 17.2 m -135.92 160.14 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -91.36 143.54 26.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 84.2 mt -135.27 160.69 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.2 p -107.66 149.0 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.8 tp -32.96 -37.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' CYS . 31.4 t0 -66.58 -69.42 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 34' ' ' ASP . 77.2 m -55.87 -56.14 24.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' CYS . 79.1 p -32.74 -43.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.68 -49.87 45.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' CYS . 55.5 p -50.43 -43.25 54.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.827 ' HB3' HD11 ' A' ' 69' ' ' ILE . 22.8 m-70 -70.02 -44.4 69.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -47.76 -37.45 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.6 m -75.23 -44.77 44.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD13 HD22 ' A' ' 66' ' ' LEU . 86.7 mt -40.52 -48.96 2.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 129.25 126.09 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.481 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.6 m -38.5 -30.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.459 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 33.8 p-80 -72.46 -42.71 64.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.674 HD22 HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -71.08 -43.67 67.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -159.92 105.19 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -78.19 132.21 37.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.827 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.6 mm -108.18 148.67 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.213 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.538 ' HD3' HD11 ' A' ' 45' ' ' ILE . 16.3 mtp180 -162.47 127.85 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -70.07 166.74 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.595 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 64.4 p -107.02 -37.15 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -85.26 -58.48 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.68 -57.98 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -77.9 109.38 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 m -119.89 37.06 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -122.42 35.35 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.543 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 12.5 m95 -67.2 162.52 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 80' ' ' TRP . 3.2 m -107.99 133.06 52.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.553 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 75.0 m95 -30.66 -51.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -62.03 -55.98 23.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.528 ' HG2' HG21 ' A' ' 45' ' ' ILE . 76.8 mt-30 -53.51 -34.25 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.069 HD21 HG23 ' A' ' 16' ' ' ILE . 25.6 mt -63.49 -56.0 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.8 mmt-85 -59.11 -34.54 72.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 86.0 m -49.66 -34.71 19.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.8 mmm -73.05 -35.3 66.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.598 ' HA ' HD21 ' A' ' 23' ' ' LEU . 36.9 mt-30 -74.85 -60.45 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.487 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 27.6 m -44.63 -30.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -101.37 -106.13 2.89 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.15 175.04 18.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 28' ' ' THR . 3.8 m-20 -72.12 -54.28 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -55.84 -50.55 70.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' ALA . 4.4 m -35.75 -52.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.5 -54.49 10.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.3 t -35.1 -41.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 97' ' ' PHE . 8.1 t -89.24 -54.1 4.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 96' ' ' SER . 34.5 t80 -36.01 -58.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -42.16 -48.94 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' GLN . 7.2 t60 -61.38 -56.02 24.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.9 m . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.831 0.348 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 18.7 t-20 -75.12 -4.27 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.71 -58.66 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -43.2 -40.12 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.642 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 24.7 m-85 -86.89 -29.87 21.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.0 m-80 -85.11 20.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.9 p -101.93 172.61 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -65.84 -54.91 20.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.33 -46.71 25.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.84 72.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -55.57 -59.81 4.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.0 mt -37.72 -39.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.505 ' CE1' HD11 ' A' ' 124' ' ' ILE . 39.5 t80 -62.06 -65.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 10.2 mtm105 -35.84 -61.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -47.2 -51.63 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -52.19 -50.19 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 120' ' ' TYR . 33.4 mm -49.46 -35.54 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -70.74 -38.31 73.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -65.27 -53.1 49.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.487 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 15.3 mt -62.58 -53.55 53.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.43 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -43.1 -41.11 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 m -57.34 -39.73 76.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.783 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -57.64 -73.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.55 -39.89 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 60.7 m -67.18 -72.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.589 0.709 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.4 Cg_endo -69.71 128.92 16.77 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -77.24 172.45 13.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HE3' HD21 ' A' ' 17' ' ' LEU . 46.5 tptt -48.82 -63.04 1.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 17' ' ' LEU . 7.0 tm0? -40.81 -54.42 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -52.84 -52.8 55.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.763 HG23 HD21 ' A' ' 83' ' ' LEU . 69.0 mt -55.12 -43.23 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.482 HD21 ' HE3' ' A' ' 13' ' ' LYS . 82.1 mt -52.21 -36.85 53.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' ILE . 52.5 m -64.63 -68.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.465 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 2.4 mp -33.5 -36.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' CZ ' HG22 ' A' ' 72' ' ' THR . 26.3 m-85 -82.87 -58.98 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' PHE . 6.6 ptmt -35.59 -37.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -63.08 -44.77 94.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 87' ' ' GLN . 17.0 mt -77.67 -43.05 32.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' SER . 36.1 mtp180 -45.75 -53.93 8.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' ARG . 26.1 m -36.1 -50.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 28' ' ' THR . 3.4 t -52.05 131.27 40.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HA ' ' HG2' ' A' ' 30' ' ' LYS . 53.7 Cg_endo -69.73 -14.3 35.97 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.553 ' H ' HG12 ' A' ' 26' ' ' VAL . 32.6 p -96.58 -13.26 23.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -102.41 -27.8 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.7 ptpt -76.75 10.19 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 17.0 m -134.07 132.92 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 34' ' ' ASP . 6.4 t -48.81 101.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -39.32 -32.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 5.5 t0 -63.39 -71.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.7 p -98.6 -49.03 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.4 17.34 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.26 122.01 12.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -64.41 141.79 58.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.8 m-20 63.96 50.39 1.08 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.77 79.57 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 p -39.49 -59.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.479 ' CD1' ' HA ' ' A' ' 53' ' ' ILE . 79.6 m95 -56.3 142.95 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.11 126.8 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.045 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -90.97 114.45 26.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.567 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.9 mt -67.68 -46.52 82.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m -38.36 -63.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.537 ' O ' HG13 ' A' ' 49' ' ' VAL . 82.2 m-85 -92.53 10.04 31.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 44.11 46.59 8.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 47' ' ' TYR . 13.8 m -124.01 173.18 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -107.08 139.68 41.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.4 mt -135.95 167.62 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.4 p -106.33 171.07 7.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.4 tp -52.83 -40.3 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.411 ' N ' HG23 ' A' ' 53' ' ' ILE . 76.6 m-20 -67.16 -75.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' SER . 72.0 m -43.8 -57.5 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 92.2 p -33.43 -36.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.4 -48.35 81.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -50.71 -42.67 57.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.768 ' HB3' HD11 ' A' ' 69' ' ' ILE . 25.6 m-70 -67.81 -45.24 75.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -56.44 -30.9 63.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.1 t -68.97 -49.12 60.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 59' ' ' HIS . 11.9 mt -48.76 -51.68 27.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.53 128.92 2.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.562 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.3 m -44.39 -24.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.554 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 25.5 p-80 -70.91 -40.54 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -73.79 -49.99 22.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -147.06 105.11 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -75.62 132.54 40.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.768 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.8 mm -109.91 135.99 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -148.08 136.35 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 t -79.84 166.2 21.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.52 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 51.6 p -109.12 -31.16 7.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -92.64 -56.27 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.72 -53.48 32.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.06 125.3 29.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.96 32.82 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -120.98 36.9 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.567 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 13.1 m95 -73.9 142.35 45.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.86 149.62 21.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.571 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 49.8 m95 -47.02 -39.28 12.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -67.31 -58.2 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -54.58 -31.75 57.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.763 HD21 HG23 ' A' ' 16' ' ' ILE . 22.9 mt -63.35 -62.05 1.94 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' HE ' ' HB1' ' A' ' 131' ' ' ALA . 31.5 mmt-85 -52.02 -40.22 60.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 95.8 m -42.83 -40.68 2.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 80.7 mmm -68.07 -38.26 82.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.796 ' HA ' HD21 ' A' ' 23' ' ' LEU . 14.9 mm-40 -68.86 -59.05 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 24.2 m -54.89 -13.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -110.65 -140.59 8.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 138.89 154.11 6.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 1.6 m-20 -52.97 -60.23 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -49.12 -55.93 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 92' ' ' ALA . 2.6 m -32.12 -59.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.811 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' SER . . . -68.37 -48.74 63.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 94' ' ' ALA . 13.2 t -36.71 -32.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' ALA . 99.7 p -105.03 -53.7 2.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.4 t80 -35.57 -37.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -67.81 -55.29 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -64.97 -55.33 19.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.432 ' CD ' ' HA ' ' A' ' 97' ' ' PHE . 2.9 pt20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.813 0.339 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.484 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 16.5 t-20 -73.51 -5.13 38.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.36 -53.26 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -51.61 -42.77 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 53.3 m-85 -80.8 -24.96 38.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 14.9 m-80 -89.17 20.8 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.9 p -104.04 165.14 11.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -60.67 -50.77 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.94 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.93 -52.78 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -54.24 -57.82 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.5 mt -40.59 -43.97 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.555 ' CE1' HD11 ' A' ' 124' ' ' ILE . 28.0 t80 -57.93 -60.65 3.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 120' ' ' TYR . 27.1 mtm180 -38.38 -62.78 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -47.42 -52.12 17.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -46.38 -52.37 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.555 HD11 ' CE1' ' A' ' 120' ' ' TYR . 26.9 mm -49.91 -40.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.6 -46.33 90.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.3 t -59.48 -65.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 26.3 mt -49.56 -55.07 14.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.39 -44.84 5.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.8 t -59.13 -32.82 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 127' ' ' LEU . 44.3 mm-40 -62.2 -43.61 98.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.444 ' HB1' ' HE ' ' A' ' 84' ' ' ARG . . . -79.18 -34.17 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 67.1 m -68.58 -49.7 57.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.636 0.731 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.449 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.4 Cg_endo -69.83 133.71 26.11 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.646 2.23 . . . . 0.0 112.28 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' LYS . 55.3 m -73.82 159.32 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' SER . 24.0 ttpt -37.0 -54.96 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -48.7 -58.43 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.12 -49.84 50.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.978 HG23 HD21 ' A' ' 83' ' ' LEU . 69.0 mt -57.26 -47.42 84.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.7 mt -48.96 -65.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' ILE . 9.0 m -38.9 -69.76 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.577 HD12 HD13 ' A' ' 83' ' ' LEU . 98.5 mt -33.79 -37.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.602 ' CZ ' HG22 ' A' ' 72' ' ' THR . 10.3 m-85 -80.48 -55.5 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -40.08 -35.18 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -65.62 -40.83 93.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 87' ' ' GLN . 22.0 mt -83.83 -52.83 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -48.13 -42.97 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -43.81 -46.1 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 13.7 t -51.91 135.27 37.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.694 0.759 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.1 Cg_endo -69.79 10.91 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.44 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 72.3 p -120.82 -17.22 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.5 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 97.3 m-20 -99.85 -21.67 15.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -81.86 12.06 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.4 m -138.83 119.56 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 36' ' ' GLY . 8.0 t -36.02 103.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.539 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -41.68 -32.64 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.29 -72.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.1 p -98.13 -48.81 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.97 12.25 3.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.52 115.07 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -60.1 142.39 54.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.457 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 9.5 m120 62.78 53.66 1.94 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.7 82.49 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.9 p -45.37 -36.25 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CD1' ' N ' ' A' ' 53' ' ' ILE . 91.3 m95 -81.91 147.88 29.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.39 128.46 10.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -91.72 112.77 24.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.588 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 9.6 mt -65.45 -44.83 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.453 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 1.8 m -41.63 -61.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.767 ' O ' HG13 ' A' ' 49' ' ' VAL . 78.6 m-85 -93.05 15.33 15.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.93 48.41 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.428 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 47' ' ' TYR . 21.6 m -129.78 166.05 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 65.7 m-85 -97.85 145.4 26.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 44.8 mt -139.39 170.55 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.0 p -116.44 150.99 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 42' ' ' TRP . 3.0 tp -35.09 -37.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.78 -72.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 56' ' ' SER . 79.1 m -52.4 -56.25 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 55' ' ' CYS . 38.2 p -30.58 -42.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.495 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -53.05 -49.84 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' CYS . 69.0 p -48.7 -38.95 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.488 ' HB3' HD11 ' A' ' 69' ' ' ILE . 24.0 m-70 -76.63 -41.13 47.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.495 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 31.0 mtm180 -49.64 -37.09 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 t -73.73 -43.11 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.747 HD13 HD22 ' A' ' 66' ' ' LEU . 96.5 mt -44.34 -36.49 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 115.69 130.36 4.69 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.425 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.9 m -41.68 -29.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.19 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.411 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 31.1 p-80 -74.11 -38.84 63.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.747 HD22 HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -74.1 -44.58 53.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -160.37 105.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -76.72 139.61 40.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.5 mm -113.23 140.21 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 78' ' ' TRP . 11.2 mmm180 -150.75 141.54 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 t -90.09 152.7 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.602 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 76.9 p -90.65 -43.27 10.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -87.65 -65.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.74 -36.51 47.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -108.2 122.05 46.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.8 m -129.49 32.75 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.02 26.35 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.588 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.8 m95 -59.71 159.09 9.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 80' ' ' TRP . 1.6 p -105.61 135.66 46.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.818 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.487 ' C ' ' O ' ' A' ' 79' ' ' SER . 65.7 m95 -31.31 -42.76 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' SER . 32.2 t80 -65.13 -67.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -49.83 -27.24 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.978 HD21 HG23 ' A' ' 16' ' ' ILE . 7.9 mt -66.51 -63.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 25.2 mmt-85 -53.31 -34.31 56.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.471 ' HA ' HG22 ' A' ' 88' ' ' VAL . 92.7 m -42.51 -48.98 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 77.4 mmm -58.84 -34.06 71.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.677 ' HA ' HD21 ' A' ' 23' ' ' LEU . 31.4 mt-30 -72.6 -43.15 63.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.481 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 10.5 m -81.36 21.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.15 -86.03 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.84 161.2 35.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 28' ' ' THR . 22.0 m-20 -75.36 -64.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -49.05 -51.36 31.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' ALA . 33.5 m -33.32 -54.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -66.78 -50.33 63.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' ALA . 7.6 t -36.1 -40.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' PHE . 17.8 m -92.8 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.2 t80 -36.17 -43.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' HE2' ' HB2' ' A' ' 117' ' ' ALA . 16.9 m-85 -62.92 -60.77 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -51.53 -51.92 51.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.557 HG23 ' CD2' ' A' ' 112' ' ' TYR . 99.5 m . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.851 0.358 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 22.1 t-20 -72.73 -6.62 45.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.37 -59.7 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -46.59 -37.43 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.557 ' CD2' HG23 ' A' ' 108' ' ' THR . 45.4 m-85 -85.62 -30.5 23.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 11.6 m-80 -86.63 25.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.1 p -110.74 166.51 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -57.77 -56.19 25.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.41 -44.15 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.507 ' HB1' ' OH ' ' A' ' 47' ' ' TYR . . . -66.07 -50.74 63.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 119' ' ' LEU . 31.1 mt-30 -53.2 -61.42 2.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 118' ' ' GLN . 40.7 mt -35.98 -38.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.819 ' CE1' HD11 ' A' ' 124' ' ' ILE . 11.7 t80 -62.17 -61.18 2.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.453 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 20.7 mtm180 -38.92 -66.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -46.25 -52.82 11.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -48.12 -55.84 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.819 HD11 ' CE1' ' A' ' 120' ' ' TYR . 39.2 mm -46.71 -40.43 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -59.1 -55.37 35.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 t -54.67 -58.12 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 130' ' ' GLN . 32.9 mt -55.92 -58.11 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -37.32 -47.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 133' ' ' ARG . 19.4 t -58.57 -38.58 78.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' LEU . 2.0 pp0? -54.36 -34.44 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -88.51 -30.77 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.5 m -83.86 -64.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 129' ' ' SER . 55.5 ttt-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 t -105.82 117.6 34.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -51.53 -51.8 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.79 127.21 5.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -81.29 168.93 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -132.06 89.99 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.3 46.77 1.06 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ptm -156.04 156.68 34.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.28 142.23 15.93 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.44 155.04 89.52 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.608 0.718 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.559 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.7 133.07 24.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -78.12 173.17 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.019 0.438 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -51.0 -61.94 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -40.22 -65.59 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.07 -50.93 8.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.924 HG23 HD21 ' A' ' 83' ' ' LEU . 74.4 mt -57.64 -39.56 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.1 mt -67.58 -29.87 69.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 7.0 m -70.29 -34.93 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.766 HG23 ' CD ' ' A' ' 87' ' ' GLN . 69.7 mt -76.22 -24.99 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.814 ' CZ ' HG22 ' A' ' 72' ' ' THR . 16.2 m-85 -90.22 -29.6 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 18' ' ' THR . 9.9 ptpt -65.67 -28.35 69.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -80.86 -41.77 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.834 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.658 HD21 ' C ' ' A' ' 86' ' ' MET . 7.6 mp -72.55 -44.42 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mtp-105 -57.12 -44.64 83.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -38.7 -47.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.503 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 2.7 t -55.66 136.82 71.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.6 Cg_endo -69.76 -28.17 25.59 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -85.55 -9.21 57.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.435 ' CG ' ' HB ' ' A' ' 26' ' ' VAL . 13.7 m-20 -102.82 -30.11 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ptpt -79.46 13.68 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 31' ' ' VAL . 16.7 m -137.35 118.08 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' VAL . 28.7 t -35.2 106.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.577 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -48.2 -21.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -75.58 -70.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.8 p -97.39 -43.31 7.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 122.33 7.1 7.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.15 124.66 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -67.99 147.94 51.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 8.0 m120 59.77 48.79 2.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.71 80.59 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.376 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -44.23 -62.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -49.16 139.43 10.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.4 137.71 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -103.43 106.16 16.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.466 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.3 mt -60.22 -44.05 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.54 HG22 ' HD2' ' A' ' 121' ' ' ARG . 0.3 OUTLIER -41.57 -58.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -100.54 12.63 36.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.95 49.24 4.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 m -124.55 165.31 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -102.18 133.06 47.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -128.82 170.8 12.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ASP . 24.4 p -116.92 148.31 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 52' ' ' CYS . 5.1 tp -33.23 -34.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' CYS . 9.2 t70 -67.07 -67.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.1 m -63.42 -55.08 27.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' CYS . 82.3 p -33.45 -36.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.94 -48.36 82.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.2 m -52.27 -49.9 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 110.838 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.876 ' HB3' HD11 ' A' ' 69' ' ' ILE . 9.3 m-70 -54.96 -48.82 72.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -51.2 -38.6 53.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 t -62.22 -47.06 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.851 ' HB3' HD13 ' A' ' 66' ' ' LEU . 20.7 mt -47.81 -47.14 31.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.467 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 131.6 126.33 2.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.535 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -38.79 -31.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.467 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 28.6 p-80 -68.44 -43.19 77.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.851 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.1 tt -70.73 -47.72 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -153.36 105.13 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -78.0 134.25 37.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.876 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.1 mm -113.9 136.93 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -147.91 127.91 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -69.5 173.99 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.814 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 67.6 p -118.22 -30.56 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.213 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.72 -36.65 23.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.88 -67.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.85 114.64 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.8 p -117.48 -21.75 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -76.34 50.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.466 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 8.3 m95 -79.14 156.18 28.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' TRP . 20.3 m -102.32 127.89 49.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 82.1 m95 -33.88 -59.29 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -48.8 -47.12 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.485 ' O ' ' C ' ' A' ' 83' ' ' LEU . 87.3 mt-30 -60.11 -67.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.924 HD21 HG23 ' A' ' 16' ' ' ILE . 5.2 mt -30.64 -56.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.512 ' NH1' HD11 ' A' ' 19' ' ' ILE . 71.3 mmt-85 -52.84 -49.21 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 88' ' ' VAL . 75.9 m -37.09 -35.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.658 ' C ' HD21 ' A' ' 23' ' ' LEU . 68.5 mmm -70.84 -43.51 68.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.766 ' CD ' HG23 ' A' ' 19' ' ' ILE . 6.7 mt-30 -71.77 -36.84 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 85' ' ' CYS . 21.7 m -84.04 26.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.93 -92.91 0.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.8 159.64 34.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.471 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -66.01 -68.38 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -42.0 -49.59 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 92' ' ' ALA . 1.9 m -37.88 -47.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.99 -48.68 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 t -39.55 -39.07 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 97' ' ' PHE . 3.6 m -92.15 -56.72 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.5 t80 -34.87 -48.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 117' ' ' ALA . 17.8 m-85 -57.96 -66.63 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -44.58 -50.22 9.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -37.91 -46.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -73.02 -46.82 49.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 51.13 0.42 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.527 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 104' ' ' SER . 19.0 p -67.88 -46.26 72.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.426 ' N ' ' SG ' ' A' ' 103' ' ' CYS . 24.5 t 46.02 38.66 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.4 m -135.6 138.74 43.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 107' ' ' ASP . 60.9 m-20 -103.44 -43.01 5.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' ASN . 4.8 m-20 -36.29 138.81 0.19 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.0 m -79.13 -37.37 38.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 1.1 t30 -77.72 -5.57 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -116.01 -57.69 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -47.92 -40.42 21.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.422 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 45.1 m-85 -83.04 -26.4 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 25.4 m-80 -89.5 19.52 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.6 p -105.29 163.05 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -55.15 -56.62 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.92 -49.98 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 98' ' ' PHE . . . -57.11 -55.5 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.45 -59.1 3.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.2 mt -38.96 -44.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 121' ' ' ARG . 34.6 t80 -57.63 -66.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.54 ' HD2' HG22 ' A' ' 46' ' ' THR . 12.1 mtm180 -35.26 -65.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -43.82 -52.86 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -49.39 -52.94 25.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.8 mm -48.16 -46.49 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -55.32 -44.87 76.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.9 t -59.59 -68.58 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 130' ' ' GLN . 14.6 mt -45.97 -53.26 10.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -37.16 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 127' ' ' LEU . 46.0 p -68.47 -47.14 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 127' ' ' LEU . 68.8 mt-30 -48.9 -41.47 33.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.3 -42.77 16.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.4 m -61.23 -63.56 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -45.9 -43.71 13.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -42.71 115.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 136' ' ' GLY . 74.1 m80 40.6 43.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 34.22 -123.92 0.46 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 138' ' ' ASP . 34.7 p -63.7 -50.53 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 111.191 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 137' ' ' THR . 1.2 m-20 -34.41 102.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 140' ' ' TRP . 10.2 tp -43.24 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 141' ' ' LEU . 1.1 p90 -34.07 -46.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.533 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 2.9 mt -39.48 -63.77 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -160.61 166.64 28.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.7 t -75.13 102.67 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 8.2 t -74.51 -43.36 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 146' ' ' PRO . . . 138.44 98.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.418 ' HD2' ' HA2' ' A' ' 145' ' ' GLY . 54.5 Cg_endo -69.73 128.09 15.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.736 2.291 . . . . 0.0 112.379 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 68.6 m -78.04 127.35 32.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 64.2 m -49.49 106.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.468 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -110.91 140.67 45.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 p -161.63 136.52 7.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.73 126.64 3.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 m -91.92 158.61 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -96.7 45.99 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.39 48.2 4.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -80.7 42.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 37.2 -146.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.9 158.38 69.96 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.615 0.722 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HB3' ' CE2' ' A' ' 80' ' ' TRP . 52.9 Cg_endo -69.8 118.85 5.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 m -63.02 167.7 4.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -47.86 -58.71 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -44.47 -62.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.594 ' O ' HD12 ' A' ' 19' ' ' ILE . 37.6 m-20 -46.02 -52.45 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.888 HG23 HD21 ' A' ' 83' ' ' LEU . 77.1 mt -51.66 -40.77 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.069 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.33 -28.07 69.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.8 m -68.86 -31.7 70.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 15' ' ' ASP . 4.1 mp -78.78 -28.57 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.626 ' CZ ' HG22 ' A' ' 72' ' ' THR . 16.6 m-85 -85.3 -43.36 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -47.29 -34.98 7.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -66.88 -41.24 87.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' A' ' 87' ' ' GLN . 34.0 mt -78.64 -57.06 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 10.0 mtp-105 -42.9 -51.24 5.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.2 p -40.28 -35.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 28' ' ' THR . 5.3 t -74.7 135.19 74.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.4 Cg_endo -69.82 1.57 4.35 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.441 ' H ' HG12 ' A' ' 26' ' ' VAL . 72.6 p -106.3 -16.11 14.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -105.48 -28.13 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ptpt -75.68 7.18 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.2 m -136.23 119.97 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.6 t -35.28 112.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -50.71 -26.77 5.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -70.76 -71.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.3 p -97.03 -49.42 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.55 13.57 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.1 124.2 14.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -64.0 139.43 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.473 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 43.5 t30 64.39 52.66 1.23 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.81 80.23 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -40.36 -68.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 68.6 m95 -48.94 143.39 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.31 127.83 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.4 t -86.61 119.88 27.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.536 HG21 ' HG2' ' A' ' 82' ' ' GLN . 23.1 mt -73.92 -56.22 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ILE . 43.6 m -34.71 -43.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.8 -27.38 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.48 37.3 27.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.4 m -118.98 174.64 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.52 140.41 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.0 mt -136.66 169.4 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.5 p -115.4 147.61 40.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.8 tp -32.8 -38.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' CYS . 3.8 m-20 -64.81 -67.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 56' ' ' SER . 67.9 m -62.35 -54.94 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.7 p -33.03 -40.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.79 -47.74 83.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.485 ' HB3' HG21 ' A' ' 108' ' ' THR . 2.7 m -52.58 -41.82 63.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.735 ' HB3' HD11 ' A' ' 69' ' ' ILE . 6.6 m-70 -65.56 -46.24 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -49.39 -34.28 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -67.26 -44.94 78.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD13 HD22 ' A' ' 66' ' ' LEU . 91.4 mt -44.62 -56.75 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 141.2 127.84 2.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.1 m -41.67 -25.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 111.173 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.428 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 32.4 p-80 -78.37 -38.71 41.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.498 HD22 HD13 ' A' ' 62' ' ' LEU . 1.7 tt -76.17 -40.92 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -159.58 108.17 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -86.16 132.47 34.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.735 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.5 mm -108.53 149.34 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -165.14 122.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -61.61 178.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.626 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 67.4 p -117.91 -41.07 2.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.87 -43.05 25.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.79 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -77.79 -64.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -62.44 129.61 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' HD11 ' A' ' 16' ' ' ILE . 5.5 p -128.09 -25.92 2.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -77.41 46.83 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -71.74 174.96 6.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' TRP . 67.9 m -115.97 121.13 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.512 ' CE2' ' HB3' ' A' ' 11' ' ' PRO . 16.9 m95 -34.56 -37.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -71.38 -51.54 23.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.536 ' HG2' HG21 ' A' ' 45' ' ' ILE . 89.7 mt-30 -56.67 -37.59 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.888 HD21 HG23 ' A' ' 16' ' ' ILE . 18.1 mt -58.64 -54.86 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 23.9 mmt-85 -54.8 -39.74 68.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 124' ' ' ILE . 74.6 m -48.51 -36.01 14.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 81.1 mmm -64.92 -40.6 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.944 ' HA ' HD21 ' A' ' 23' ' ' LEU . 22.2 mt-30 -72.63 -63.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.522 HG11 ' N ' ' A' ' 128' ' ' ALA . 35.7 m -41.96 -30.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -102.38 -109.08 3.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 100.95 155.16 27.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' ND2' ' HB2' ' A' ' 33' ' ' PHE . 1.8 m-20 -45.64 -68.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -34.94 -63.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -29.81 -64.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.73 79.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -38.92 -33.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' PHE . 11.9 t -106.15 -51.07 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.651 ' CE1' ' CE1' ' A' ' 101' ' ' HIS . 10.5 t80 -32.61 -46.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -61.63 -59.34 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -57.76 -55.04 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -45.66 -47.18 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.651 ' CE1' ' CE1' ' A' ' 97' ' ' PHE . 1.4 m80 -60.95 -61.67 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.16 41.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.9 t -145.18 109.41 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.3 m -111.19 41.11 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.773 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.5 m -78.94 126.48 30.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -83.02 -29.16 29.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -49.25 171.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 58' ' ' SER . 70.3 m -111.05 -43.75 3.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 23.1 t-20 -77.38 -8.36 57.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.58 -55.1 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -50.67 -46.87 58.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.466 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 52.8 m-85 -76.38 -23.62 54.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 10.9 m-80 -88.37 20.48 3.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.3 p -101.73 169.89 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -64.53 -49.78 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.12 -43.21 30.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.02 -52.98 61.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -49.48 -62.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 101' ' ' HIS . 37.7 mt -42.51 -40.47 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 121' ' ' ARG . 41.9 t80 -61.41 -62.44 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 120' ' ' TYR . 42.1 mtm180 -37.22 -66.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -48.4 -51.46 26.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -43.78 22.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.407 ' CG2' ' HB3' ' A' ' 85' ' ' CYS . 26.4 mm -56.78 -44.04 80.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -61.63 -37.4 83.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 t -66.89 -54.89 17.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.471 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 47.1 mt -57.82 -61.27 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.522 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -40.01 -45.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.4 t -51.68 -39.69 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -60.02 -56.25 23.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.0 73.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.7 m -69.79 -49.36 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 134' ' ' LYS . 6.6 ptt85 -73.61 -34.6 65.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.468 ' CE ' ' HB2' ' A' ' 140' ' ' TRP . 0.9 OUTLIER -34.45 -58.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -133.16 -45.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 99.14 -137.89 13.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.432 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 15.7 p -42.23 -36.01 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.71 137.85 55.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 140' ' ' TRP . 4.4 mm? -77.54 92.21 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.733 ' CE2' HD12 ' A' ' 141' ' ' LEU . 11.4 p90 -34.54 -41.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.733 HD12 ' CE2' ' A' ' 140' ' ' TRP . 4.2 mp -34.75 109.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.14 145.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.1 m -68.31 124.47 23.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 34.3 t -94.89 -51.48 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.2 -103.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 90.02 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.397 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.3 t -73.62 131.13 41.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.8 m -146.77 171.68 14.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.489 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -108.47 128.89 55.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -64.47 -52.28 58.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.88 -140.84 8.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -46.38 110.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.937 0.399 . . . . 0.0 110.901 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -132.12 84.12 2.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.66 57.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.41 152.86 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.32 141.39 16.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -52.85 152.43 7.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.5 Cg_endo -69.84 125.87 12.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.592 2.195 . . . . 0.0 112.38 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 m -79.7 174.08 11.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -48.93 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -42.35 -62.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -49.97 -54.71 18.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.686 HG23 HD11 ' A' ' 83' ' ' LEU . 65.0 mt -48.43 -33.39 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -73.95 -32.01 63.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.559 HG21 ' HG ' ' A' ' 139' ' ' LEU . 21.5 m -57.35 -28.84 63.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.692 HG23 ' NE2' ' A' ' 87' ' ' GLN . 4.9 mp -87.02 -40.44 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.949 ' CZ ' HG22 ' A' ' 72' ' ' THR . 12.4 m-85 -71.6 -27.47 63.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -61.98 -40.18 94.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -68.87 -33.58 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD11 ' HG2' ' A' ' 87' ' ' GLN . 10.7 mp -81.58 -63.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LEU . 43.6 mtp180 -38.18 -51.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.8 p -39.88 -50.18 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 28' ' ' THR . 3.4 t -55.15 130.49 68.31 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.685 0.755 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -2.21 9.74 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.48 ' H ' HG12 ' A' ' 26' ' ' VAL . 44.6 p -104.45 -11.8 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -107.38 -25.3 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -78.19 10.59 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' CYS . 5.3 m -135.27 120.9 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 36' ' ' GLY . 29.3 t -37.57 104.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.606 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.99 -22.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -74.02 -71.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.6 p -96.49 -45.15 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 123.68 9.28 5.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.427 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.32 128.83 29.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -71.11 146.93 48.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.508 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.7 m-20 60.96 50.38 2.06 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.75 80.51 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 p -42.23 -68.03 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.522 ' CD1' ' HA ' ' A' ' 53' ' ' ILE . 85.5 m95 -46.8 143.37 2.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.47 133.82 19.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 t -96.22 113.68 25.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.402 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 13.7 mt -69.64 -44.57 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.188 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 32.1 m -47.85 -46.59 31.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.741 ' O ' HG13 ' A' ' 49' ' ' VAL . 60.1 m-85 -104.68 10.84 34.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.98 44.5 2.77 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 47' ' ' TYR . 18.2 m -125.04 169.98 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -107.13 145.86 31.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.0 mt -142.51 165.78 26.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.8 p -106.75 148.73 28.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.522 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.4 tp -33.91 -33.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' CYS . 13.7 t70 -69.0 -72.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 56' ' ' SER . 85.9 m -55.12 -55.59 29.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' CYS . 61.7 p -32.57 -37.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.6 -50.04 62.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.53 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.2 m -51.38 -42.04 61.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.918 ' HB3' HD11 ' A' ' 69' ' ' ILE . 12.7 m-70 -64.4 -46.36 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -55.31 -35.81 65.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -67.15 -53.71 28.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 59' ' ' HIS . 15.8 mt -40.03 -51.61 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.55 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.71 124.5 2.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -38.6 -29.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.55 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 36.9 p-80 -68.82 -45.17 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -67.11 -44.61 79.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.401 ' OG ' ' CE1' ' A' ' 47' ' ' TYR . 1.8 m -156.48 109.8 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -81.92 129.2 34.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.918 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.1 mm -108.72 138.43 35.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -144.28 148.48 34.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.42 132.41 39.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.949 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 60.4 p -77.62 -46.41 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.69 -73.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.9 mt -42.75 -66.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.84 137.86 37.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.5 p -129.01 -8.2 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -86.7 50.54 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.402 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 6.4 m95 -73.89 -177.73 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' GLN . 9.6 m -124.89 129.02 49.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.572 ' CZ2' ' HB ' ' A' ' 137' ' ' THR . 39.5 m95 -39.13 -50.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -57.32 -37.96 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' SER . 84.1 mt-30 -73.98 -26.57 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.686 HD11 HG23 ' A' ' 16' ' ' ILE . 4.2 mm? -66.68 -52.23 47.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 22.2 mmt-85 -63.03 -34.75 78.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.7 m -50.27 -30.88 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.427 ' C ' HD21 ' A' ' 23' ' ' LEU . 89.4 mmm -73.99 -46.0 46.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.692 ' NE2' HG23 ' A' ' 19' ' ' ILE . 11.6 mt-30 -64.84 -61.33 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 128' ' ' ALA . 13.1 m -49.44 -18.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.65 -116.28 4.17 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.34 160.05 13.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.483 ' ND2' ' HB2' ' A' ' 33' ' ' PHE . 4.7 m-20 -63.07 -57.9 9.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -55.6 -49.68 72.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 92' ' ' ALA . 13.7 m -34.25 -53.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.36 -47.37 56.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' ALA . 30.0 t -35.61 -39.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 97' ' ' PHE . 72.0 m -90.94 -58.05 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.5 t80 -34.21 -54.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -49.25 -54.04 18.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.4 t-160 -62.49 -55.17 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 99' ' ' HIS . 11.5 mm100 -33.32 -46.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -71.09 -62.53 1.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.12 50.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.7 t -128.78 84.7 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.1 p -90.21 44.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.3 m -96.55 134.13 40.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.232 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 107' ' ' ASP . 7.6 m120 -90.97 -47.12 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 106' ' ' ASN . 17.7 m-20 -34.34 133.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 58' ' ' SER . 55.2 m -76.07 -36.94 58.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -77.96 -7.74 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -114.31 -59.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -45.03 -38.99 5.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.409 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 47.1 m-85 -84.36 -28.63 26.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.2 m-80 -85.7 21.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.1 p -101.61 173.47 6.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -69.99 -47.16 63.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.11 -43.95 61.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.41 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' LEU . 20.6 mt-30 -52.68 -62.58 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' GLN . 67.8 mt -37.48 -43.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.496 ' CE1' HD11 ' A' ' 124' ' ' ILE . 9.9 t80 -58.73 -58.76 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 23.0 mtm180 -41.23 -65.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -47.0 -51.26 17.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -47.66 -50.82 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.496 HD11 ' CE1' ' A' ' 120' ' ' TYR . 34.3 mm -50.39 -39.39 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -58.78 -51.9 68.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.9 m -57.97 -51.34 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 130' ' ' GLN . 29.6 mt -60.17 -63.69 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -35.19 -38.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m -61.96 -45.23 94.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -51.57 -36.46 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -84.79 -33.66 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 134' ' ' LYS . 23.5 m -71.55 -66.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -39.55 -27.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 135' ' ' HIS . 6.5 tppt? -38.62 158.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.472 ' C ' ' O ' ' A' ' 134' ' ' LYS . 6.2 m170 -32.17 99.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 34.3 -149.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.446 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.572 ' HB ' ' CZ2' ' A' ' 80' ' ' TRP . 65.6 p -73.01 -31.39 64.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 137' ' ' THR . 1.0 OUTLIER -33.18 109.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.559 ' HG ' HG21 ' A' ' 18' ' ' THR . 1.9 mm? -43.15 109.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.629 ' CZ2' HD22 ' A' ' 141' ' ' LEU . 13.6 p90 -33.33 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.629 HD22 ' CZ2' ' A' ' 140' ' ' TRP . 1.2 pt? -99.02 138.58 35.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -175.79 155.35 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.0 t -119.25 158.6 25.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.2 m -119.29 -63.85 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 80.53 -162.11 45.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 109.41 2.3 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 112.309 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 34.9 p -88.45 86.39 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 60.0 p -41.38 -47.77 3.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.506 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -105.88 108.26 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.812 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -175.0 165.99 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.9 -100.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.543 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 m -60.2 104.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -100.48 131.66 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.45 165.35 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -38.43 135.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 162.77 52.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.8 152.4 53.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.75 126.88 13.83 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.283 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -65.89 169.77 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -53.2 -58.22 7.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -44.7 -60.62 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -44.88 -52.12 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.557 HD11 ' O ' ' A' ' 76' ' ' SER . 69.6 mt -51.12 -55.68 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 18' ' ' THR . 95.7 mt -40.06 -67.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' LEU . 4.1 m -36.99 -67.46 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.834 ' CD1' HD13 ' A' ' 83' ' ' LEU . 63.6 mt -37.15 -36.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CZ ' HG22 ' A' ' 72' ' ' THR . 12.1 m-85 -82.16 -60.65 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' PHE . 6.1 pttp -36.93 -39.34 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -60.69 -44.22 96.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.694 HD21 ' HA ' ' A' ' 87' ' ' GLN . 67.1 mt -76.85 -44.19 33.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' SER . 38.8 mtp180 -49.24 -49.44 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -35.9 -51.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 28' ' ' THR . 6.0 t -48.99 131.41 15.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.689 0.757 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 4.23 2.29 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.447 ' H ' HG12 ' A' ' 26' ' ' VAL . 68.7 p -113.75 -16.33 12.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -100.22 -26.25 13.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -76.68 7.99 4.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.0 m -136.27 121.94 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 8.2 t -37.04 105.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -44.78 -30.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 2.8 t0 -64.46 -72.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.3 p -98.5 -48.89 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 128.26 12.54 2.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 116.53 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -59.67 143.11 51.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.478 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.8 m-20 63.05 52.12 1.55 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.1 Cg_endo -69.88 79.98 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -40.73 -67.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -48.89 147.42 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.18 124.68 8.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -89.58 113.25 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.612 HD13 ' CD ' ' A' ' 82' ' ' GLN . 12.5 mt -64.71 -49.59 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -36.36 -63.45 0.39 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -91.38 5.0 51.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.31 55.48 7.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 91' ' ' ASN . 3.1 m -135.41 168.6 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.084 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -101.79 143.85 31.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 23.1 mt -140.27 168.47 19.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' ILE . 30.5 p -111.67 147.7 34.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.9 tp -34.62 -36.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' CYS . 2.2 m-20 -66.28 -58.09 6.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.79 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' GLY . 79.0 m -69.12 -54.19 16.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 55' ' ' CYS . 57.8 p -33.38 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.98 -48.89 79.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -50.18 -40.72 47.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 -179.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.867 ' HB3' HD11 ' A' ' 69' ' ' ILE . 20.5 m-70 -69.56 -44.0 71.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -53.33 -38.06 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -66.14 -46.12 78.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.465 HD13 HD22 ' A' ' 66' ' ' LEU . 98.4 mt -44.94 -55.9 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.508 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.86 127.49 2.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -41.53 -28.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.508 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 37.5 p-80 -73.47 -42.28 62.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.465 HD22 HD13 ' A' ' 62' ' ' LEU . 1.1 tt -72.25 -46.41 56.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -152.67 104.93 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.94 133.7 36.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.867 HD11 ' HB3' ' A' ' 59' ' ' HIS . 4.1 mm -107.79 145.13 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.175 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -159.07 126.68 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.03 174.08 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.606 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 79.9 p -115.78 -39.8 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.95 -40.95 27.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.6 mt -82.63 -66.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.34 126.7 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.557 ' O ' HD11 ' A' ' 16' ' ' ILE . 4.1 p -127.05 -21.49 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -81.99 48.53 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.458 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 7.1 m95 -73.14 178.35 4.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 80' ' ' TRP . 70.4 m -122.65 124.12 42.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.678 ' CD1' HG22 ' A' ' 137' ' ' THR . 30.8 m95 -33.82 -43.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -65.6 -51.23 61.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.612 ' CD ' HD13 ' A' ' 45' ' ' ILE . 15.0 mt-30 -58.43 -34.84 71.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.834 HD13 ' CD1' ' A' ' 19' ' ' ILE . 9.8 mt -60.89 -62.05 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' GLN . 16.8 mmt-85 -43.88 -47.77 8.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.1 m -39.04 -42.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 79.3 mmm -65.91 -39.86 90.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.813 HE21 HG23 ' A' ' 19' ' ' ILE . 16.2 mm-40 -68.17 -60.64 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.418 HG11 ' C ' ' A' ' 127' ' ' LEU . 24.0 m -51.82 -28.56 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.7 -138.95 10.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.83 160.27 8.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.432 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.448 ' HA ' HG12 ' A' ' 49' ' ' VAL . 2.2 m120 -54.49 -52.57 61.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.836 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -60.46 -49.76 76.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' ALA . 3.4 m -36.23 -50.06 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.21 -50.32 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 t -38.18 -42.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -86.77 -47.57 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.88 -56.85 4.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -50.71 -62.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.58 -51.52 20.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -43.16 -50.05 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -64.2 -58.88 5.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.26 43.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.454 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 33.5 t -108.23 81.47 1.49 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.848 0.356 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.9 t -82.42 84.03 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 94.6 m -149.04 133.17 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 107' ' ' ASP . 12.5 p-10 -91.34 -44.45 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.588 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 11.1 m-20 -34.46 132.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.468 HG23 ' CD2' ' A' ' 112' ' ' TYR . 98.7 m -77.36 -38.82 49.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.478 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 24.7 t-20 -74.91 -8.07 55.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -114.24 -58.56 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -47.77 -41.51 23.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.468 ' CD2' HG23 ' A' ' 108' ' ' THR . 46.5 m-85 -80.79 -30.61 35.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.5 m-80 -87.64 27.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.9 p -111.5 172.68 6.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -64.28 -54.97 24.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.02 -43.45 14.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.95 -54.01 45.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -51.69 -62.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.5 mt -37.01 -42.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.424 ' CE1' HD11 ' A' ' 124' ' ' ILE . 22.3 t80 -57.82 -64.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 120' ' ' TYR . 13.3 mtm105 -36.99 -62.72 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -44.48 -51.71 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -49.22 -52.79 24.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 120' ' ' TYR . 45.4 mm -49.64 -42.71 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.56 -46.15 87.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 t -58.6 -51.29 70.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.418 ' C ' HG11 ' A' ' 88' ' ' VAL . 21.5 mt -66.33 -54.82 20.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -40.32 -40.74 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 t -58.99 -39.23 81.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 127' ' ' LEU . 43.1 mt-30 -59.51 -59.47 5.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.458 ' O ' ' NE ' ' A' ' 84' ' ' ARG . . . -61.51 -27.13 68.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.2 m -72.73 -60.39 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.6 ptt85 -56.8 -33.83 67.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -55.16 96.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.493 ' O ' ' C ' ' A' ' 136' ' ' GLY . 90.7 m-70 63.98 44.05 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 30.07 -128.54 0.13 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.678 HG22 ' CD1' ' A' ' 80' ' ' TRP . 63.3 p -61.83 -43.63 98.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 111.173 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -41.12 111.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 140' ' ' TRP . 13.5 mt -51.37 105.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.429 ' C ' ' O ' ' A' ' 139' ' ' LEU . 4.0 p90 -35.49 -41.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 9.7 mt -36.06 133.35 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -47.0 -51.72 16.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.5 t -57.55 113.12 1.66 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 10.3 m -153.25 119.86 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.58 12.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 1.36 4.54 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.298 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 t -100.59 44.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 64.6 m -98.86 83.24 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.481 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.5 m -161.1 108.8 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -98.67 91.78 5.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.24 127.86 46.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -62.68 141.34 58.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 p -173.77 154.8 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.26 61.94 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -48.72 -30.13 5.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.783 0.325 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.33 158.19 11.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.35 152.57 42.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.78 138.89 38.84 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.695 2.263 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.75 173.91 8.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -49.86 -40.57 42.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -65.54 -39.37 91.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' HD12 ' A' ' 19' ' ' ILE . 5.7 m-20 -68.83 -43.09 76.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.456 HG23 HD21 ' A' ' 83' ' ' LEU . 40.1 mt -62.12 -35.09 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.88 -31.24 70.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.469 HG21 HD22 ' A' ' 139' ' ' LEU . 52.6 m -68.06 -37.48 81.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 83' ' ' LEU . 2.4 mp -75.72 -25.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.605 ' CZ ' HG22 ' A' ' 72' ' ' THR . 7.8 m-85 -87.54 -33.4 18.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -53.06 -35.83 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 tpt85 -78.13 -24.49 47.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -78.8 -64.2 1.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 35.4 mtp180 -44.37 -41.3 6.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 t -40.38 -52.47 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 2.3 t -56.24 136.55 75.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.584 0.707 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.5 Cg_endo -69.81 -10.09 27.68 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.487 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 51.1 p -101.59 -12.26 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -99.78 -32.1 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' CE ' ' O ' ' A' ' 24' ' ' ARG . 16.3 ptpt -74.19 5.52 4.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 m -135.41 128.42 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' GLY . 29.5 t -43.36 105.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.436 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 0.5 OUTLIER -47.17 -24.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.07 -71.23 0.29 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.0 p -96.35 -44.79 7.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 122.29 9.8 6.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.492 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.17 126.75 26.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.402 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -68.55 145.84 53.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.7 t-20 63.01 52.65 1.65 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.4 Cg_endo -69.9 80.17 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.623 2.215 . . . . 0.0 112.318 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 p -40.25 -66.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.811 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.471 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 62.2 m95 -52.62 151.21 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.63 126.55 6.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.06 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -86.75 115.39 24.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.639 HD13 HE21 ' A' ' 82' ' ' GLN . 17.6 mt -69.68 -43.53 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.459 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 69.2 m -46.09 -53.97 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -96.79 4.0 51.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.45 44.35 21.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.94 169.28 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -106.56 136.6 46.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -134.26 171.63 13.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' ILE . 22.7 p -116.01 149.23 39.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 54' ' ' ASP . 2.3 tp -31.09 -46.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.205 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 53' ' ' ILE . 46.8 m-20 -58.97 -68.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLY . 72.0 m -58.71 -58.01 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' CYS . 58.4 p -33.47 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.32 -48.49 80.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.658 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.2 m -51.08 -48.78 61.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.697 ' HA ' HD12 ' A' ' 62' ' ' LEU . 23.8 m-70 -59.12 -44.83 92.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' CG ' HG13 ' A' ' 69' ' ' ILE . 68.9 mtp180 -55.31 -37.03 66.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 t -62.99 -50.49 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 59' ' ' HIS . 11.9 mt -45.18 -64.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 150.73 129.49 1.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -41.95 -27.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.423 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 54.9 p-80 -68.47 -47.94 65.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 65' ' ' HIS . 2.6 tt -70.07 -42.74 72.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -155.98 117.44 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -91.4 139.3 30.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.668 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.4 mm -114.41 154.98 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 9.5 mtp180 -167.87 131.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.5 m -78.14 156.59 29.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.605 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 30.8 p -98.42 -39.93 8.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.17 -52.75 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -73.15 -57.35 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.37 108.99 16.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.7 m -119.13 35.44 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -116.88 34.14 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.577 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 12.5 m95 -69.06 161.96 27.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.33 151.88 26.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.729 ' NE1' HG22 ' A' ' 137' ' ' THR . 61.1 m95 -46.14 -40.73 11.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -71.0 -58.79 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.639 HE21 HD13 ' A' ' 45' ' ' ILE . 30.4 mt-30 -55.32 -14.99 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.671 HD13 HD13 ' A' ' 19' ' ' ILE . 26.2 mt -81.35 -57.34 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -59.9 -24.61 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.496 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 66.3 m -59.5 -31.58 69.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 84.3 mmm -70.09 -35.26 74.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.469 ' NE2' HG23 ' A' ' 19' ' ' ILE . 56.8 mt-30 -75.84 -64.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 22.2 m -43.65 -23.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.41 -114.14 3.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.29 164.41 15.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.42 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 28' ' ' THR . 2.0 m-20 -68.3 -56.13 9.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -54.63 -51.2 66.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ALA . 61.2 m -34.71 -53.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.18 -54.52 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.6 t -35.46 -36.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.1 m -94.62 -51.71 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -39.09 -55.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -47.89 -60.29 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -53.9 -55.21 28.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -40.04 -48.09 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -64.04 -50.65 67.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.806 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.24 47.35 0.3 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.507 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.4 m -128.17 94.95 4.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.3 t -89.83 96.21 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.0 m -138.47 146.31 41.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -117.31 -28.51 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.02 177.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.658 HG21 ' HB3' ' A' ' 58' ' ' SER . 97.2 m -110.42 -37.44 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -84.65 1.79 44.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.28 -46.02 2.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -56.75 -45.08 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.64 ' HE2' HG23 ' A' ' 108' ' ' THR . 23.0 m-85 -81.14 -22.29 39.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -89.94 17.95 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.1 p -103.6 159.34 15.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -54.28 -59.7 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -38.17 -52.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.1 -53.16 54.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 119' ' ' LEU . 24.1 mt-30 -52.2 -61.86 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 118' ' ' GLN . 62.7 mt -36.42 -40.27 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.576 ' CE1' HD11 ' A' ' 124' ' ' ILE . 39.2 t80 -62.6 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 20.2 mtm180 -35.59 -64.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -45.89 -52.09 12.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -50.76 -51.92 45.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.576 HD11 ' CE1' ' A' ' 120' ' ' TYR . 24.5 mm -44.02 -40.23 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -68.33 -42.01 79.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -61.34 -41.61 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 130' ' ' GLN . 24.6 mt -78.2 -55.78 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.496 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -39.82 -31.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.9 p -72.35 -39.94 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -53.95 -35.33 61.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -88.59 -32.36 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.1 m -74.02 -64.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -42.56 -55.36 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -38.97 -70.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.514 ' CE1' ' HA ' ' A' ' 140' ' ' TRP . 73.1 m80 -111.82 99.49 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -49.74 -70.13 0.88 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.729 HG22 ' NE1' ' A' ' 80' ' ' TRP . 11.5 p -119.89 36.98 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.178 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -129.24 161.08 31.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 142' ' ' ASP . 15.8 mt -99.45 97.27 8.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.514 ' HA ' ' CE1' ' A' ' 135' ' ' HIS . 9.2 p90 -38.95 -38.64 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.782 ' H ' HD23 ' A' ' 141' ' ' LEU . 0.4 OUTLIER -66.42 -39.4 88.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 139' ' ' LEU . 7.2 t0 -138.06 122.97 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.8 m -69.76 99.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.4 m -89.22 117.68 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.772 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.6 -164.99 0.93 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.446 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 85.99 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.4 t -98.23 146.34 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.6 t -148.38 165.84 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.473 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -102.16 -50.55 3.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 m -115.29 -60.98 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.46 67.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.436 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -86.91 105.13 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 t -166.4 112.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.19 172.46 22.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -149.53 164.47 34.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.1 -168.61 30.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -129.83 143.67 49.95 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.71 132.75 24.07 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.786 2.324 . . . . 0.0 112.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m -80.57 177.41 9.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.971 0.415 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -55.15 -57.63 10.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -44.81 -53.12 7.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.59 -51.72 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.569 HG23 HD21 ' A' ' 83' ' ' LEU . 68.3 mt -57.42 -34.39 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.57 -41.78 92.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -64.84 -59.89 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.991 ' CD1' HD13 ' A' ' 83' ' ' LEU . 95.8 mt -41.93 -38.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 72' ' ' THR . 14.1 m-85 -80.18 -60.98 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 22' ' ' ARG . 9.3 pttp -35.97 -46.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 21' ' ' LYS . 24.3 ttt85 -53.79 -45.15 70.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' PHE . 86.7 mt -76.3 -38.33 56.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -53.0 -49.78 65.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -38.85 -42.11 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 3.9 t -59.67 137.19 89.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.694 0.759 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.4 Cg_endo -69.89 -32.21 18.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.308 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -82.65 -6.36 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -106.75 -31.31 8.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 14.3 ptpt -78.19 11.56 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.5 m -133.9 125.86 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLY . 11.7 t -44.17 110.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.21 -28.98 2.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.08 -71.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 p -97.5 -47.04 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 121.96 13.12 5.1 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.25 128.17 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -68.09 142.83 55.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.483 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 9.8 m120 61.73 51.73 2.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.4 Cg_endo -69.78 80.04 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.228 . . . . 0.0 112.43 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 p -40.69 -65.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.431 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 81.5 m95 -50.89 145.39 7.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.89 124.18 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.085 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -83.45 119.43 24.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.569 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 23.4 mt -77.25 -46.69 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 26.6 m -50.03 -42.05 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.732 ' O ' HG13 ' A' ' 49' ' ' VAL . 54.0 m-85 -105.3 12.56 31.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.57 54.33 1.05 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 47' ' ' TYR . 15.8 m -139.15 157.36 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -92.3 142.95 26.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -139.29 168.85 18.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.4 p -114.0 146.96 39.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.1 tp -32.39 -40.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' N ' HG23 ' A' ' 53' ' ' ILE . 5.9 t70 -61.7 -69.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.1 m -58.3 -55.89 29.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' CYS . 53.6 p -33.95 -33.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.77 -48.65 80.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -52.05 -47.15 65.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.92 0.39 . . . . 0.0 110.892 -179.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.826 ' HB3' HD11 ' A' ' 69' ' ' ILE . 19.4 m-70 -58.68 -47.87 83.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -53.5 -38.6 63.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.1 m -60.73 -47.67 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.711 ' HB3' HD22 ' A' ' 66' ' ' LEU . 14.9 mt -48.91 -55.71 10.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.477 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 141.32 125.12 2.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -36.55 -34.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.477 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 51.0 p-80 -64.22 -46.44 83.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.711 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -67.75 -49.48 62.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.88 105.48 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -78.45 131.31 36.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.826 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.8 mm -111.03 136.55 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -147.96 129.29 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 t -69.71 162.52 27.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 66.4 p -103.52 -27.82 12.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -104.79 -45.77 4.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.47 37.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -171.22 115.93 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -119.69 35.48 4.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -121.78 40.03 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.569 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.7 m95 -81.92 146.53 29.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' TRP . 12.1 p -97.99 138.94 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 94.8 m95 -36.43 -41.69 0.3 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -66.63 -61.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.479 ' HG2' HG21 ' A' ' 45' ' ' ILE . 90.6 mt-30 -49.94 -32.45 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.991 HD13 ' CD1' ' A' ' 19' ' ' ILE . 12.9 mt -65.41 -67.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 45.3 mmt-85 -49.2 -40.1 32.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 82.3 m -45.12 -23.06 0.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 77.9 mmm -86.83 -40.94 14.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.965 ' NE2' HG23 ' A' ' 19' ' ' ILE . 89.8 mt-30 -73.02 -26.13 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.526 HG21 ' N ' ' A' ' 128' ' ' ALA . 27.6 m -91.47 19.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -135.11 -96.11 0.51 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.07 163.87 26.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.19 -70.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -40.64 -50.2 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ALA . 5.3 m -34.11 -50.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -74.82 -51.55 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 94' ' ' ALA . 25.9 t -35.05 -37.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' PHE . 30.6 t -95.27 -54.91 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.4 t80 -34.45 -51.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -51.62 -50.94 59.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -65.81 -47.77 73.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -43.75 -48.39 8.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -66.02 -44.79 83.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.8 44.77 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 t -130.29 95.54 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.0 m -102.59 89.31 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.8 m -135.71 140.14 44.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 107' ' ' ASP . 24.7 m-80 -94.02 -49.82 5.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 24.5 m-20 -34.34 133.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 96.9 m -77.79 -31.15 51.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.494 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 22.3 t-20 -81.97 -9.01 59.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -114.83 -54.67 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -47.71 -41.32 22.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.461 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 46.4 m-85 -83.27 -28.06 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 26.2 m-80 -87.15 20.63 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 p -101.06 171.19 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -67.15 -49.95 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.95 -42.56 48.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.74 76.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' LEU . 25.7 mt-30 -53.41 -60.36 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' GLN . 58.2 mt -36.82 -45.65 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 121' ' ' ARG . 18.6 t80 -57.21 -66.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.474 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 28.6 mtm180 -34.71 -64.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -46.96 -56.96 5.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -41.22 -56.97 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 30.9 mm -48.55 -36.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.38 -52.74 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.9 m -58.12 -65.28 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 130' ' ' GLN . 29.1 mt -47.82 -53.96 13.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.526 ' N ' HG21 ' A' ' 88' ' ' VAL . . . -35.32 -33.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 127' ' ' LEU . 23.8 p -72.53 -45.23 60.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.8 pt20 -46.14 -26.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 84' ' ' ARG . . . -103.83 -21.09 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.2 m -95.45 -61.13 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.484 ' O ' ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -58.46 -33.85 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 133' ' ' ARG . 49.3 tttt -31.47 -64.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -124.44 -44.87 1.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' THR . . . 83.6 145.02 6.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.507 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.532 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 72.3 p 34.88 44.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.34 . . . . 0.0 111.125 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -170.59 107.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 140' ' ' TRP . 3.6 mp -49.06 97.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.749 ' CZ2' HD22 ' A' ' 141' ' ' LEU . 7.2 p90 -30.62 -49.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.749 HD22 ' CZ2' ' A' ' 140' ' ' TRP . 0.8 OUTLIER -82.0 145.26 30.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.951 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -159.78 129.32 5.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 35.3 p -111.46 -43.61 3.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 8.4 t -111.48 -52.49 2.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 121.43 138.51 5.47 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 127.69 15.0 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.658 2.238 . . . . 0.0 112.357 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.8 t -84.11 147.79 27.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.9 t -101.75 129.28 47.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.536 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -39.5 141.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -55.54 119.94 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.3 129.85 32.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -108.88 177.51 4.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 110.902 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m -45.93 -55.2 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.02 151.9 23.56 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.522 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.445 ' SD ' HG23 ' A' ' 137' ' ' THR . 5.9 ptt? -117.8 156.68 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.94 147.98 28.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -86.61 153.87 55.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.541 0.686 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.68 136.67 33.82 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -79.43 162.35 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -45.19 -60.29 2.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -41.76 -56.89 2.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -52.1 -48.63 64.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.906 HG23 HD21 ' A' ' 83' ' ' LEU . 55.0 mt -58.69 -34.27 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.66 -34.55 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -70.14 -37.66 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.617 HG23 ' NE2' ' A' ' 87' ' ' GLN . 71.1 mt -67.66 -31.11 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CZ ' HG22 ' A' ' 72' ' ' THR . 11.2 m-85 -85.22 -47.97 9.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -36.94 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -64.77 -38.16 90.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD11 ' HG2' ' A' ' 87' ' ' GLN . 69.3 mt -81.25 -58.45 3.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 25' ' ' SER . 7.5 mtp-105 -39.27 -46.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' ARG . 35.7 t -37.13 -51.51 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 7.5 t -52.21 134.62 41.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.66 0.743 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.1 Cg_endo -69.68 5.95 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.3 p -115.34 -15.82 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -99.77 -28.14 13.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -75.6 6.08 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 m -134.77 127.63 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' GLY . 12.3 t -43.5 114.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -51.1 -30.39 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 4.7 t70 -66.94 -71.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.2 p -98.16 -48.11 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.44 9.41 4.5 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.427 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.01 121.89 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.09 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -65.85 143.97 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.456 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 94.6 m-20 62.14 53.51 2.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.71 82.27 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.38 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.49 -43.04 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -72.91 142.3 47.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB1' ' CE ' ' A' ' 86' ' ' MET . . . -149.35 125.44 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 t -89.25 114.06 25.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.612 HG21 ' HG2' ' A' ' 82' ' ' GLN . 12.6 mt -66.44 -43.54 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 29.9 m -41.98 -54.95 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' A' ' 46' ' ' THR . 57.0 m-85 -100.19 7.57 44.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.37 45.76 16.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 91' ' ' ASN . 2.1 m -124.83 164.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -101.6 131.96 47.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -125.45 175.71 7.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.1 p -119.44 151.19 38.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.5 tp -34.22 -41.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.95 -74.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 56' ' ' SER . 76.8 m -51.16 -57.19 9.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' CYS . 69.3 p -31.56 -40.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.49 -49.82 59.28 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' CYS . 3.3 m -51.38 -40.24 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.881 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.801 ' HB3' HD11 ' A' ' 69' ' ' ILE . 9.4 m-70 -67.71 -43.35 80.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -53.63 -34.21 57.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.5 m -68.37 -50.7 51.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.774 ' HB3' HD13 ' A' ' 66' ' ' LEU . 58.9 mt -42.09 -49.07 4.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 130.39 127.96 2.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -38.7 -35.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -64.5 -43.93 92.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.774 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.4 tt -71.53 -43.0 67.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -157.96 112.87 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -86.49 132.61 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.801 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.6 mm -107.51 133.89 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -146.85 127.7 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 m -68.89 -177.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.597 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 57.9 p -125.39 -38.32 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -79.94 -37.21 35.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mp -91.73 -62.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.96 112.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 p -112.48 -22.69 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -76.01 53.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.495 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.3 m95 -85.74 134.31 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 80' ' ' TRP . 53.3 p -81.67 129.87 34.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.552 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 70.9 m95 -32.93 -39.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' SER . 44.2 t80 -68.17 -59.11 3.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.612 ' HG2' HG21 ' A' ' 45' ' ' ILE . 66.8 mt-30 -47.05 -39.96 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.906 HD21 HG23 ' A' ' 16' ' ' ILE . 7.7 mt -57.32 -63.54 1.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HD2' ' HB1' ' A' ' 131' ' ' ALA . 50.4 mmt-85 -51.09 -46.42 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.8 m -39.2 -32.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.463 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 81.6 mmm -72.85 -46.2 54.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.618 ' HG2' HD11 ' A' ' 23' ' ' LEU . 19.7 mt-30 -65.47 -59.85 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.489 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 26.8 m -45.96 -22.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.8 -121.19 4.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.26 159.87 10.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.429 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.403 ' HA ' HG12 ' A' ' 49' ' ' VAL . 2.1 m120 -61.55 -61.44 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.823 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -50.26 -51.6 43.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' ALA . 2.7 m -34.36 -53.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -70.72 -53.11 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 94' ' ' ALA . 21.5 t -34.87 -36.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' ALA . 50.7 m -96.62 -52.25 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' SER . 26.3 t80 -36.0 -56.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.791 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CZ ' ' HE2' ' A' ' 111' ' ' LYS . 32.4 m-85 -45.98 -52.01 12.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.5 t-160 -67.97 -58.25 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 99' ' ' HIS . 80.1 mm-40 -36.76 -45.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -66.47 -49.78 65.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.09 43.14 0.3 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.3 m -128.31 114.53 17.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.6 p -115.31 82.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.8 m -135.18 143.28 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' ASP . 3.5 p30 -98.93 -47.76 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.558 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 57.7 m-20 -33.78 131.04 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.0 m -75.31 -33.24 61.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 21.1 t-20 -81.15 -10.43 59.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -110.77 -59.14 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.523 ' HE2' ' CZ ' ' A' ' 98' ' ' PHE . 55.9 tttt -45.09 -42.99 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -78.9 -31.45 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.1 m-80 -85.73 22.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 p -101.19 175.49 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -66.77 -53.32 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.811 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.21 -50.21 39.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.15 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -59.6 -59.36 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 68.4 mt -44.66 -33.91 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -64.83 -49.66 69.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 8.1 mtm105 -56.75 -58.7 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 7.6 pt-20 -49.93 -40.94 45.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.519 ' N ' ' HG3' ' A' ' 122' ' ' GLU . 3.8 ttmm -60.31 -47.41 86.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 46.0 mm -54.89 -32.49 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -64.78 -53.24 50.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.1 t -58.45 -49.67 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.489 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 11.2 mt -59.81 -59.4 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.468 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -36.46 -31.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.7 m -68.31 -44.73 74.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 127' ' ' LEU . 3.7 pt20 -51.84 -44.39 63.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -77.19 -40.11 46.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.4 m -63.66 -68.76 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -44.61 -40.6 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.94 120.61 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 136' ' ' GLY . 45.4 m170 42.11 47.44 3.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 32.7 -136.24 0.15 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.538 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.445 HG23 ' SD ' ' A' ' 8' ' ' MET . 58.8 p -78.7 52.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.177 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 140' ' ' TRP . 38.7 t70 -136.9 118.96 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 140' ' ' TRP . 3.1 mm? -35.82 93.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.489 ' C ' ' O ' ' A' ' 139' ' ' LEU . 19.9 p90 -31.26 -41.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 139' ' ' LEU . 4.7 mp -37.43 153.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.2 147.78 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.2 p -67.17 97.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 83.8 p -93.29 -44.71 8.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.783 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -175.5 144.0 6.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 88.94 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.393 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.1 m -112.59 91.26 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.8 t -87.86 -56.28 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.8 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.559 -179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t -149.2 142.84 25.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -65.2 151.53 45.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.07 67.37 0.17 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 p -54.85 166.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 m -103.4 147.93 26.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.79 57.43 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.6 ttt -72.97 120.17 18.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.88 -149.54 25.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -125.04 137.91 30.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.541 0.686 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.3 Cg_endo -69.7 120.84 7.57 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -77.87 164.11 25.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -41.7 -56.59 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -42.92 -62.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -51.57 -48.75 63.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.922 HG23 HD11 ' A' ' 83' ' ' LEU . 68.9 mt -58.79 -35.4 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.74 -44.71 92.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' LYS . 49.4 m -56.8 -67.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.938 HD13 ' HB3' ' A' ' 83' ' ' LEU . 15.4 mt -39.36 -33.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.666 ' CZ ' HG22 ' A' ' 72' ' ' THR . 9.0 m-85 -84.62 -34.76 23.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -63.17 -35.17 79.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -70.26 -40.15 74.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 19' ' ' ILE . 5.3 mp -73.17 -59.24 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' SER . 31.1 mtp180 -40.83 -51.16 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' ARG . 32.4 t -38.07 -39.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.509 HG13 ' HD2' ' A' ' 27' ' ' PRO . 25.8 t -62.24 136.68 95.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.509 ' HD2' HG13 ' A' ' 26' ' ' VAL . 53.3 Cg_endo -69.8 12.97 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 91' ' ' ASN . 32.3 p -123.96 -15.89 6.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -102.25 -22.27 14.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -79.97 7.01 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 15.9 m -137.9 127.87 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' GLY . 6.7 t -45.1 116.2 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -50.81 -33.33 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -63.77 -71.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.4 p -99.77 -47.27 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 123.56 12.33 4.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.16 120.01 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -59.29 143.34 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.4 m120 62.65 54.75 2.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.3 Cg_endo -69.82 79.92 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 p -42.21 -66.87 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 70.8 m95 -51.91 149.07 5.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.1 126.58 10.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.148 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -92.24 111.01 22.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.569 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.1 mt -64.79 -42.54 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 m -39.2 -62.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.481 ' O ' HG13 ' A' ' 49' ' ' VAL . 51.0 m-85 -95.8 11.27 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.41 43.66 10.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 47' ' ' TYR . 10.3 m -121.37 169.8 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.423 ' O ' HD23 ' A' ' 51' ' ' LEU . 26.3 m-85 -102.74 143.67 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 50' ' ' PHE . 33.5 mt -138.16 166.99 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 29.0 p -112.45 146.6 38.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.511 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 2.0 tp -31.93 -38.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' CYS . 2.0 t70 -66.26 -71.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 57' ' ' GLY . 80.5 m -53.12 -55.78 21.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' CYS . 55.4 p -32.98 -35.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.65 -49.47 65.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.45 ' OG ' HG21 ' A' ' 108' ' ' THR . 0.9 OUTLIER -49.49 -48.42 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.791 ' HB3' HD11 ' A' ' 69' ' ' ILE . 26.8 m-70 -60.63 -48.9 79.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 10.9 mtp-105 -52.59 -37.58 58.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 m -62.46 -48.14 80.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 59' ' ' HIS . 12.0 mt -48.5 -53.28 18.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 140.72 123.95 2.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 m -37.82 -28.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.564 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 23.6 p-80 -69.91 -45.45 67.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -67.83 -50.44 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 105.48 3.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -76.46 129.05 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.791 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.4 mm -109.92 136.3 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -146.16 139.41 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.4 m -83.73 151.92 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.666 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 52.1 p -95.18 -51.3 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -73.35 -65.29 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.66 -62.04 1.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.67 125.21 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 m -128.39 30.86 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -117.37 40.48 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.569 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.6 m95 -72.71 171.15 13.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' TRP . 8.3 m -113.91 137.34 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.809 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.547 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 37.2 m95 -36.55 -55.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -56.41 -45.84 80.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -66.91 -27.3 67.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.938 ' HB3' HD13 ' A' ' 19' ' ' ILE . 1.3 mm? -66.9 -50.35 62.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HD2' ' NE2' ' A' ' 87' ' ' GLN . 10.1 mmt-85 -62.35 -40.98 98.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.438 ' HA ' HG22 ' A' ' 88' ' ' VAL . 91.1 m -38.2 -49.45 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.429 ' C ' HD21 ' A' ' 23' ' ' LEU . 64.4 mmm -62.76 -34.78 77.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.938 ' OE1' HG23 ' A' ' 19' ' ' ILE . 9.3 mt-30 -73.46 -42.37 62.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 127' ' ' LEU . 23.3 m -79.86 15.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.81 -104.3 0.66 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.36 162.47 37.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.475 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -56.73 -65.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.902 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -33.48 -63.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -31.17 -64.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.48 84.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.095 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.0 t -38.65 -36.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.792 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 97' ' ' PHE . 66.7 m -102.06 -48.56 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 96' ' ' SER . 11.5 t80 -35.3 -53.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -55.08 -61.62 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -48.34 -54.21 14.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -45.46 -40.63 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 102' ' ' GLY . 20.5 m-70 -90.34 37.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 101' ' ' HIS . . . 36.06 48.78 1.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.548 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.4 m -133.77 81.25 1.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.775 0.322 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -101.01 42.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 43.0 m -71.37 122.38 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -79.98 -35.3 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.84 173.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.45 HG21 ' OG ' ' A' ' 58' ' ' SER . 73.2 m -115.04 -42.17 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 12.9 t-20 -75.77 -8.16 56.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.12 -49.84 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.476 ' NZ ' ' CE1' ' A' ' 112' ' ' TYR . 17.9 tttm -50.95 -43.96 60.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.629 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 50.9 m-85 -81.39 -25.79 35.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 30.2 m-80 -88.72 22.09 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 p -105.26 172.91 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -65.61 -56.2 13.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.79 -51.18 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.27 75.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.0 -58.75 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.1 mt -41.16 -36.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.496 ' CZ ' HD11 ' A' ' 124' ' ' ILE . 21.7 t80 -65.26 -63.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 120' ' ' TYR . 14.1 mtm105 -33.9 -63.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -45.83 -57.98 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -41.22 -54.12 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.496 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 29.3 mm -44.66 -48.1 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 19.9 ttpp -50.85 -57.95 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.0 t -51.06 -65.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.498 ' O ' HG11 ' A' ' 88' ' ' VAL . 18.3 mt -51.38 -34.32 33.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 125' ' ' LYS . . . -61.86 -46.16 90.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 94.2 p -58.58 -37.91 76.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -50.95 -72.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.06 -50.21 20.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -58.7 -75.68 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 134' ' ' LYS . 9.6 ttm105 -41.33 -43.54 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 133' ' ' ARG . 12.6 tptm -28.7 -71.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -125.47 45.69 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 44.21 -123.63 5.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.498 HG22 ' CD1' ' A' ' 80' ' ' TRP . 62.6 p -75.1 -45.66 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -49.81 89.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.799 HD12 ' HB2' ' A' ' 141' ' ' LEU . 0.6 OUTLIER -40.89 111.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.509 ' C ' ' O ' ' A' ' 139' ' ' LEU . 0.7 OUTLIER -28.56 -41.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.799 ' HB2' HD12 ' A' ' 139' ' ' LEU . 6.0 mt -42.93 150.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -85.9 46.84 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.2 t -84.56 147.99 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 51.8 p -120.8 147.54 45.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 144.37 176.82 18.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 162.17 43.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 66.8 m -120.51 176.78 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 23.3 t -116.22 161.0 19.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.408 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 p -48.38 -45.94 36.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.906 0.384 . . . . 0.0 110.819 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -47.25 150.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.09 67.11 1.42 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -97.94 123.44 41.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -116.95 149.04 40.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.21 44.11 94.35 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.62 94.27 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.21 -177.23 41.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.84 151.14 51.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.551 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.0 Cg_endo -69.75 153.33 69.1 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.669 2.246 . . . . 0.0 112.408 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.6 m -90.4 168.23 12.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -52.12 -55.77 18.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -50.12 -53.29 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.36 -48.61 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.874 HG23 HD21 ' A' ' 83' ' ' LEU . 35.5 mt -61.49 -43.2 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -48.58 -37.63 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 19' ' ' ILE . 1.5 m -64.55 -67.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.4 mp -33.27 -38.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.872 ' CZ ' HG22 ' A' ' 72' ' ' THR . 26.3 m-85 -82.44 -55.28 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -42.36 -40.33 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 3.7 tpm_? -61.15 -39.48 90.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.802 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 87' ' ' GLN . 53.6 mt -83.24 -59.34 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 23' ' ' LEU . 67.7 mtp180 -34.95 -48.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.0 p -39.3 -47.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 8.6 t -57.53 135.96 82.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.454 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 53.9 Cg_endo -69.78 3.91 2.51 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.728 2.285 . . . . 0.0 112.36 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 80.4 p -114.66 -4.49 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -113.47 -22.88 10.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -82.37 9.31 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 31' ' ' VAL . 15.2 m -134.62 117.43 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' GLY . 3.0 t -37.48 116.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -49.33 -34.69 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.22 -69.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.3 p -103.69 -46.75 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.19 11.25 3.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 52' ' ' CYS . . . -46.47 127.32 9.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -68.1 139.38 56.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.492 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 71.5 m-80 62.8 51.63 1.58 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.0 Cg_endo -69.85 79.67 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -43.21 -63.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.418 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 53.5 m95 -51.71 145.79 8.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.47 ' HB1' ' HE1' ' A' ' 86' ' ' MET . . . -152.59 135.28 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 5.0 t -92.06 99.35 12.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.549 HD13 ' CD ' ' A' ' 82' ' ' GLN . 14.7 mt -50.65 -51.11 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.634 HG22 ' HG2' ' A' ' 121' ' ' ARG . 74.8 m -39.72 -60.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.412 ' O ' HG13 ' A' ' 49' ' ' VAL . 87.0 m-85 -92.4 4.5 53.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' SER . . . 46.46 40.86 11.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 47' ' ' TYR . 9.1 m -115.07 165.54 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -100.6 132.97 45.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.6 mt -129.05 164.54 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 53' ' ' ILE . 29.9 p -109.56 151.38 26.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 54' ' ' ASP . 2.1 tp -32.07 -48.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.534 ' N ' HG23 ' A' ' 53' ' ' ILE . 22.8 t0 -59.87 -71.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 56' ' ' SER . 61.8 m -53.52 -58.78 5.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' CYS . 85.0 p -33.75 -37.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.3 -48.35 64.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' CYS . 4.1 m -52.43 -50.22 63.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.915 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.812 ' HB3' HD11 ' A' ' 69' ' ' ILE . 14.4 m-70 -57.51 -41.64 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.438 ' CG ' HG13 ' A' ' 69' ' ' ILE . 70.8 mtp180 -54.75 -37.93 66.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.7 t -68.43 -41.21 80.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.416 HD22 HD21 ' A' ' 113' ' ' ASN . 87.2 mt -44.3 -56.31 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 142.46 127.84 2.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -38.26 -31.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -75.48 -43.4 49.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.7 OUTLIER -66.9 -49.15 66.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.1 m -155.45 104.99 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -82.99 128.42 34.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.812 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.3 mm -106.65 152.65 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 21.3 mtt-85 -165.51 122.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 m -55.56 154.06 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.872 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 17.9 p -105.48 -38.79 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -81.35 -43.46 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.1 mt -81.97 -70.57 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.96 124.13 19.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.7 m -127.43 32.63 4.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.55 40.52 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.534 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 7.2 m95 -71.55 157.16 38.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -96.48 138.79 33.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.736 ' NE1' HG22 ' A' ' 137' ' ' THR . 66.8 m95 -41.82 -49.11 4.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -65.81 -46.91 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.549 ' CD ' HD13 ' A' ' 45' ' ' ILE . 17.4 mt-30 -61.72 -18.66 60.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.874 HD21 HG23 ' A' ' 16' ' ' ILE . 27.5 mt -78.53 -61.92 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.51 ' O ' HG22 ' A' ' 88' ' ' VAL . 17.7 mmt180 -49.45 -33.82 15.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 70.7 m -52.99 -38.24 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.47 ' HE1' ' HB1' ' A' ' 43' ' ' ALA . 69.2 mmm -66.8 -46.41 75.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.784 ' HA ' HD21 ' A' ' 23' ' ' LEU . 89.4 mt-30 -68.62 -59.61 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 84' ' ' ARG . 18.6 m -51.0 -16.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -107.38 -111.76 3.58 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.05 172.89 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 28' ' ' THR . 2.7 m-20 -73.37 -67.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -40.97 -52.74 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ALA . 66.8 m -34.38 -56.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.32 -48.68 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.038 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.6 t -41.39 -38.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.0 m -91.63 -46.98 7.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' PHE . 6.8 t80 -45.69 -54.63 7.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -51.36 -52.71 43.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' GLN . 15.5 t-160 -57.19 -54.74 43.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' HIS . 7.1 mm-40 -33.87 -48.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -71.33 -57.78 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.22 42.65 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 20.2 t -123.95 97.02 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.4 m -130.32 80.26 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.686 HG22 ' HB2' ' A' ' 111' ' ' LYS . 13.2 t -102.71 6.2 39.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.168 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 40.78 43.27 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.672 ' HB2' HG23 ' A' ' 105' ' ' THR . 0.9 OUTLIER -133.74 -172.96 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.523 HG23 ' CD2' ' A' ' 112' ' ' TYR . 61.8 m -127.26 -36.47 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.99 -3.12 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.8 -48.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.049 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.686 ' HB2' HG22 ' A' ' 105' ' ' THR . 30.3 tttm -60.98 -42.15 97.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.602 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 40.3 m-85 -80.54 -30.44 37.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.416 HD21 HD22 ' A' ' 62' ' ' LEU . 16.5 m-80 -84.02 17.88 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 p -101.38 -175.48 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -76.13 -50.74 13.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.84 -48.84 30.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.08 -52.33 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.426 ' NE2' ' HE ' ' A' ' 121' ' ' ARG . 25.2 mm-40 -50.01 -60.9 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.1 mt -38.11 -38.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 121' ' ' ARG . 20.4 t80 -67.18 -63.27 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.634 ' HG2' HG22 ' A' ' 46' ' ' THR . 10.9 mtm105 -36.62 -61.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.58 -53.66 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -46.59 -51.05 16.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 124' ' ' ILE . 24.2 mm -50.62 -50.24 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -51.39 -39.28 56.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.8 m -71.25 -57.77 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 17.3 mt -55.34 -32.49 62.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.426 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -72.18 -20.84 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.1 m -78.05 -33.09 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.551 ' CG ' ' N ' ' A' ' 131' ' ' ALA . 5.4 pt20 -60.55 -50.73 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 130' ' ' GLN . . . -70.14 -33.17 71.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.0 m -74.18 -68.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.554 ' O ' ' C ' ' A' ' 134' ' ' LYS . 6.2 mtt-85 -40.45 -52.61 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.554 ' C ' ' O ' ' A' ' 133' ' ' ARG . 0.9 OUTLIER -25.03 -69.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.563 ' CG ' ' HB3' ' A' ' 138' ' ' ASP . 2.3 t-80 -130.59 -44.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.15 -126.28 8.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.736 HG22 ' NE1' ' A' ' 80' ' ' TRP . 13.9 p -41.81 -32.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.751 0.31 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.563 ' HB3' ' CG ' ' A' ' 135' ' ' HIS . 8.4 t70 -73.4 117.41 15.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.805 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 141' ' ' LEU . 10.7 mt -65.8 89.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.458 ' C ' ' O ' ' A' ' 139' ' ' LEU . 1.0 OUTLIER -32.99 -33.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.563 HD12 HD22 ' A' ' 139' ' ' LEU . 7.0 mt -44.11 -62.38 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.41 153.51 31.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.1 t -52.81 120.82 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 89.7 p -82.2 137.6 34.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -66.79 145.07 46.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 159.32 53.89 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.2 m -100.77 42.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.7 m -52.79 124.2 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.519 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -49.11 175.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.798 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -102.63 115.52 30.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.66 47.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 p -102.33 142.14 34.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.411 . . . . 0.0 110.809 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -116.66 155.29 29.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.22 88.96 0.23 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.564 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -118.86 173.41 6.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.4 110.44 3.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.565 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -49.65 152.57 2.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.549 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.0 Cg_endo -69.73 119.93 6.8 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -75.08 167.84 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -39.01 -67.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -37.79 -67.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -41.84 -53.29 3.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.443 HG23 HD11 ' A' ' 83' ' ' LEU . 68.0 mt -52.43 -39.12 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.46 -37.07 77.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -61.15 -37.44 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.658 HG23 ' NE2' ' A' ' 87' ' ' GLN . 53.9 mt -77.17 -27.54 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.484 ' CZ ' HG22 ' A' ' 72' ' ' THR . 8.6 m-85 -84.34 -28.46 27.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -61.94 -36.58 81.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HD2' HD13 ' A' ' 141' ' ' LEU . 12.1 mtp85 -68.05 -35.27 77.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' A' ' 87' ' ' GLN . 20.7 mt -76.28 -57.92 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -42.5 -50.68 5.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.4 t -38.79 -49.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -55.11 132.1 68.51 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.597 0.713 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 3.04 3.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.583 2.189 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.419 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 69.1 p -112.71 -11.52 13.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -105.6 -25.64 12.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -76.59 5.81 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.8 m -134.4 130.27 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.0 t -43.5 104.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -45.95 -22.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -74.08 -71.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.3 p -96.64 -45.91 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.84 8.29 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.16 127.21 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -68.77 146.01 53.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 37.0 m-80 62.11 51.78 1.93 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.683 0.754 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.5 Cg_endo -69.74 80.35 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.265 . . . . 0.0 112.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 p -41.58 -68.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.424 ' NE1' ' HA ' ' A' ' 53' ' ' ILE . 74.2 m95 -48.5 148.9 1.81 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.48 124.58 6.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -85.12 115.93 23.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.568 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -67.62 -50.04 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 13.3 m -43.66 -57.46 3.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CZ ' ' HD3' ' A' ' 121' ' ' ARG . 63.7 m-85 -90.48 1.52 56.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 46.35 51.7 11.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 m -132.41 164.71 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -99.83 145.3 27.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.8 mt -141.23 168.61 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.2 p -111.7 149.39 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.4 tp -35.1 -32.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' CYS . 25.7 t0 -69.48 -71.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLY . 84.2 m -56.21 -53.09 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' CYS . 57.1 p -33.24 -35.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -59.38 -48.86 83.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.424 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.687 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.2 m -51.08 -44.53 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.887 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.827 ' HB3' HD11 ' A' ' 69' ' ' ILE . 11.9 m-70 -64.3 -44.03 92.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -54.95 -40.23 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.9 m -61.72 -49.32 76.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 59' ' ' HIS . 59.0 mt -43.85 -60.74 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.451 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 148.82 131.37 2.0 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.534 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.8 m -46.85 -24.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.451 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 37.3 p-80 -75.79 -38.74 57.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.37 -40.86 57.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -157.49 108.57 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -84.62 125.4 32.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.827 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.6 mm -101.32 133.73 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -147.96 125.21 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.8 m -65.04 171.6 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.484 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 69.0 p -112.32 -37.04 5.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -81.82 -45.0 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.01 -68.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.43 114.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' HD11 ' A' ' 16' ' ' ILE . 25.3 p -116.85 -17.75 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -84.65 47.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.568 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.5 m95 -70.81 -175.13 1.03 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' TRP . 3.0 m -130.03 125.26 34.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.549 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 10.8 m95 -34.19 -44.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -64.2 -51.12 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.42 ' HB3' HG21 ' A' ' 45' ' ' ILE . 93.1 mt-30 -60.3 -25.53 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 16' ' ' ILE . 1.8 mm? -65.38 -70.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 87' ' ' GLN . 16.1 mmt-85 -43.59 -44.82 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.8 m -40.13 -37.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.1 mmm -70.05 -38.57 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.658 ' NE2' HG23 ' A' ' 19' ' ' ILE . 21.8 mt-30 -76.1 -64.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 128' ' ' ALA . 27.3 m -39.47 -27.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' GLN . . . -112.44 -117.0 3.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.55 161.29 12.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 28' ' ' THR . 5.4 m-20 -46.7 -68.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -41.35 -56.7 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.7 OUTLIER -33.02 -59.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.534 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -72.76 -41.83 64.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t -40.41 -36.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' PHE . 8.2 m -99.76 -51.42 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.8 t80 -34.09 -57.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -48.32 -53.74 16.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.04 -48.36 82.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -41.67 -51.25 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -62.96 -54.63 35.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.39 45.29 0.15 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.4 t -122.43 79.45 1.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.4 m -80.58 44.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.1 m -105.74 135.77 46.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 107' ' ' ASP . 50.8 m-20 -95.96 -40.71 9.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.572 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 11.9 m-20 -34.17 130.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.687 HG21 ' HB3' ' A' ' 58' ' ' SER . 64.2 m -74.71 -37.79 62.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.487 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 15.6 t-20 -77.82 -8.58 58.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.8 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -114.05 -61.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -44.74 -38.25 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.456 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 60.0 m-85 -85.94 -22.81 27.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 7.7 m-80 -87.7 21.57 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.0 p -113.79 165.45 12.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -42.33 95.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.08 -20.5 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.18 -44.33 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.545 ' CG ' ' N ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -62.37 -51.49 67.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 62.6 mt -45.82 -31.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 94' ' ' ALA . 18.2 t80 -74.66 -56.2 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.471 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 25.0 mtm180 -45.73 -61.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -46.46 -46.88 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -53.58 -52.77 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 mm -50.96 -35.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -68.93 -45.31 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.1 m -63.34 -47.75 80.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 130' ' ' GLN . 50.7 mt -66.35 -55.5 15.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.44 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -36.38 -36.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -64.92 -44.06 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -52.6 -37.34 58.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -86.0 -39.24 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 54.0 m -63.01 -65.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -44.13 -48.44 9.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.91 124.15 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 136' ' ' GLY . 45.1 m-70 38.32 38.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 33.8 -117.21 0.18 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 53.5 p -65.4 -50.36 65.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -43.03 101.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 139' ' ' LEU . 6.2 mp -43.23 114.1 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.906 ' CZ2' HD22 ' A' ' 141' ' ' LEU . 5.4 p90 -34.97 -45.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.906 HD22 ' CZ2' ' A' ' 140' ' ' TRP . 0.7 OUTLIER -86.9 151.05 23.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -100.07 111.68 23.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.8 t -98.69 -57.41 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.437 ' C ' ' HD3' ' A' ' 146' ' ' PRO . 2.8 t -131.27 165.76 22.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -111.8 62.84 0.29 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.437 ' HD3' ' C ' ' A' ' 144' ' ' SER . 53.0 Cg_endo -69.75 150.19 67.97 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.7 m -103.61 89.68 3.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 149' ' ' GLY . 16.8 t -130.62 152.4 50.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.78 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 148' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.188 -0.785 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -142.55 163.79 31.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.359 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -107.71 -57.16 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.12 -146.78 18.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -81.37 41.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -44.75 160.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.93 73.06 0.95 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.496 ' SD ' HG23 ' A' ' 137' ' ' THR . 19.2 ttp -115.29 124.54 51.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.801 0.334 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.32 103.81 1.01 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -48.23 156.42 0.78 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.74 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.75 140.35 42.49 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.686 2.258 . . . . 0.0 112.371 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.8 m -87.15 170.47 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -42.98 -62.44 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' H ' ' CD ' ' A' ' 14' ' ' GLN . 11.6 mp0 -45.61 -58.94 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -46.87 -53.49 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.039 HG23 HD21 ' A' ' 83' ' ' LEU . 46.1 mt -55.61 -49.08 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -45.03 -38.11 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' PHE . 21.6 m -60.52 -70.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 18' ' ' THR . 2.0 mp -32.45 -35.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.761 ' CZ ' HG22 ' A' ' 72' ' ' THR . 23.3 m-85 -80.95 -57.22 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' PHE . 7.2 pttp -36.71 -35.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -66.75 -43.91 82.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.828 HD21 ' HA ' ' A' ' 87' ' ' GLN . 23.1 mt -82.46 -54.02 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HG3' ' C ' ' A' ' 20' ' ' PHE . 17.3 mtm180 -38.83 -50.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.7 t -46.77 -45.29 19.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.656 HG12 ' H ' ' A' ' 28' ' ' THR . 17.5 t -50.41 127.86 23.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.716 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 1.56 4.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.656 ' H ' HG12 ' A' ' 26' ' ' VAL . 15.4 p -112.18 -9.3 13.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.412 ' HA ' ' CG ' ' A' ' 91' ' ' ASN . 97.4 m-20 -109.16 -22.76 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 17.2 ptpt -79.07 12.47 2.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 31' ' ' VAL . 28.0 m -132.47 120.91 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 34' ' ' ASP . 9.4 t -39.68 103.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.613 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -41.93 -27.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 2.0 t70 -68.9 -72.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.84 -47.86 5.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.46 11.91 3.58 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.382 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.19 123.51 9.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -69.03 135.46 50.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 6.1 m120 71.04 50.84 0.33 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.8 80.12 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -41.76 -51.48 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.8 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -63.42 146.57 53.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.72 130.91 14.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.061 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -95.66 116.93 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.79 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.552 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 9.5 mt -71.35 -41.82 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.517 HG22 ' CD1' ' A' ' 47' ' ' TYR . 43.9 m -44.8 -54.63 6.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.797 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 m-85 -103.63 22.63 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 32.0 51.37 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.529 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 47' ' ' TYR . 12.7 m -131.41 166.4 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.81 151.52 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 29.1 mt -146.24 169.72 18.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.5 p -114.77 147.28 39.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.5 tp -32.3 -40.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' CYS . 76.1 m-20 -63.11 -66.4 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 56' ' ' SER . 74.0 m -60.9 -56.94 15.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.8 p -32.54 -38.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -55.95 -48.84 70.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.483 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.0 m -51.19 -47.14 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.79 ' HB3' HD11 ' A' ' 69' ' ' ILE . 14.1 m-70 -60.62 -46.04 91.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -54.81 -37.45 66.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -61.35 -48.78 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.545 HD13 HD23 ' A' ' 66' ' ' LEU . 21.4 mt -47.46 -58.45 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 146.65 123.0 1.44 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.46 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' GLY . 31.7 m -36.76 -32.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.103 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.509 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 44.3 p-80 -66.54 -46.64 75.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -67.36 -48.25 68.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.99 105.29 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -78.4 132.84 37.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.79 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.1 mm -113.78 140.26 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -148.66 143.21 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -83.68 155.83 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.761 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 40.4 p -103.69 -35.3 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.081 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.7 -42.11 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mp -87.05 -65.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.28 114.67 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -124.1 36.08 4.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -122.22 33.27 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.552 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 13.8 m95 -66.62 151.49 47.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' TRP . 16.4 m -101.4 139.13 37.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.557 ' CZ2' ' HB3' ' A' ' 11' ' ' PRO . 45.6 m95 -36.31 -38.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -67.65 -58.52 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.23 -25.7 61.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.039 HD21 HG23 ' A' ' 16' ' ' ILE . 21.1 mt -69.06 -65.88 0.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.458 ' O ' HG22 ' A' ' 88' ' ' VAL . 32.7 mmt-85 -52.92 -35.13 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.8 m -49.5 -32.3 11.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 87.8 mmm -72.03 -40.93 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.788 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.828 ' HA ' HD21 ' A' ' 23' ' ' LEU . 21.6 mt-30 -71.35 -61.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.477 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 28.2 m -46.17 -20.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 87' ' ' GLN . . . -110.59 -102.75 2.71 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.92 154.4 30.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.486 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -45.89 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -32.8 -59.66 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -32.86 -61.66 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.755 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' SER . . . -71.46 -45.57 62.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 94' ' ' ALA . 46.5 t -34.73 -35.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' PHE . 13.3 m -105.52 -49.38 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.9 t80 -34.12 -38.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.05 -53.35 31.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 96' ' ' SER . 3.4 t-160 -67.78 -53.31 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' CD ' ' HA ' ' A' ' 97' ' ' PHE . 7.9 pt20 -45.39 -44.58 12.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.64 ' CD2' ' HB2' ' A' ' 116' ' ' ALA . 21.9 t60 -62.04 -59.14 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.59 42.71 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 38.2 t -121.49 95.42 4.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.0 p -96.47 80.89 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.4 m -139.9 134.96 32.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 107' ' ' ASP . 20.2 t-20 -91.67 -46.81 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -36.68 132.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.483 HG21 ' HB3' ' A' ' 58' ' ' SER . 94.9 m -75.88 -38.31 57.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.493 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 9.7 t-20 -75.25 -12.33 60.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.6 -59.44 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -43.85 -44.09 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.546 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 35.5 m-85 -78.06 -30.36 49.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 10.5 m-80 -83.86 22.45 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 p -104.59 177.08 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -70.13 -53.81 15.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.64 ' HB2' ' CD2' ' A' ' 101' ' ' HIS . . . -45.6 -39.13 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.86 -52.51 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.66 -61.05 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.6 mt -37.25 -42.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.431 ' O ' ' C ' ' A' ' 121' ' ' ARG . 59.4 t80 -61.45 -65.5 0.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.471 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 29.5 mtm180 -35.02 -64.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -45.24 -53.31 8.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -46.4 -48.32 18.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 40.3 mm -52.71 -40.63 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -63.56 -39.44 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 t -68.54 -57.35 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 17.2 mt -58.44 -43.54 88.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.15 -44.72 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 54.5 p -54.16 -42.26 69.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -52.93 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.94 39.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 86.9 m -62.14 -75.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -40.84 -52.8 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 135' ' ' HIS . 0.8 OUTLIER -46.05 143.12 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' A' ' 134' ' ' LYS . 2.4 p-80 39.15 32.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 32.69 -131.87 0.25 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.496 HG23 ' SD ' ' A' ' 8' ' ' MET . 45.5 p -68.5 -36.33 78.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 111.139 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' THR . 11.4 t70 -36.19 107.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -60.07 108.9 0.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.535 ' CG ' ' N ' ' A' ' 141' ' ' LEU . 2.5 p90 -55.32 -46.94 76.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.535 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 6.0 mt -61.02 92.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -49.78 169.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.798 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.9 m -131.36 123.45 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.4 m -39.39 -46.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -73.65 164.26 54.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.392 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -175.6 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.1 m -65.19 164.44 13.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 16.6 m 47.29 42.04 13.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.506 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -128.69 -55.29 1.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -103.67 107.33 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -62.8 2.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -101.99 -58.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 m -97.42 133.8 41.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.02 -57.97 0.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.446 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.662 ' O ' HG21 ' A' ' 137' ' ' THR . 2.8 ttp -43.09 -40.33 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.502 ' O ' ' NE1' ' A' ' 80' ' ' TRP . . . 76.59 130.9 0.41 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.53 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.08 149.02 69.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.523 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.82 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.6 m -72.5 166.75 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -42.53 -60.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -41.26 -63.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.72 -55.04 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.538 HG23 HD11 ' A' ' 83' ' ' LEU . 66.9 mt -50.67 -33.58 11.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.29 -38.11 63.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -64.97 -31.66 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.799 ' O ' HD13 ' A' ' 23' ' ' LEU . 15.7 mt -80.44 -29.53 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.84 ' CZ ' HG22 ' A' ' 72' ' ' THR . 6.9 m-85 -81.9 -37.77 26.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -52.11 -35.23 47.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -73.79 -27.28 61.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.849 HD11 ' HG2' ' A' ' 87' ' ' GLN . 10.8 mp -83.2 -55.72 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' NE ' ' HB3' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -45.9 -49.73 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -39.46 -49.29 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 28' ' ' THR . 6.1 t -52.16 130.05 40.95 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.664 0.745 . . . . 0.0 111.181 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.86 2.52 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.478 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 72.1 p -112.67 -17.38 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -100.28 -23.71 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -78.03 7.12 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 6.2 m -137.35 125.95 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.1 t -42.84 112.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -51.2 -25.57 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -71.69 -71.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.8 p -97.28 -46.63 6.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.86 10.97 5.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.63 126.87 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -68.49 144.27 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.489 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.4 m-20 62.19 51.28 1.78 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.8 Cg_endo -69.68 80.26 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.409 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 p -42.76 -56.83 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 76.2 m95 -59.2 145.23 43.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB1' ' CE ' ' A' ' 86' ' ' MET . . . -151.86 130.82 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 t -90.5 115.85 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.808 HD13 ' CD ' ' A' ' 82' ' ' GLN . 16.5 mt -70.07 -49.3 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 99.3 m -41.45 -50.72 3.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 49' ' ' VAL . 66.4 m-85 -100.89 4.34 42.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.09 45.13 20.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 47' ' ' TYR . 15.5 m -123.59 165.82 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.327 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -100.4 142.92 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.1 mt -139.53 172.93 12.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' ILE . 27.7 p -118.84 149.14 42.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 54' ' ' ASP . 2.2 tp -31.37 -46.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.502 ' N ' HG23 ' A' ' 53' ' ' ILE . 1.7 m-20 -58.91 -68.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.6 m -59.64 -58.32 9.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' CYS . 65.7 p -31.78 -37.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -56.61 -49.65 68.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' CYS . 2.0 m -48.27 -50.97 27.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.806 ' HB3' HD11 ' A' ' 69' ' ' ILE . 21.3 m-70 -57.39 -49.27 76.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.816 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 12.7 mtp-105 -52.68 -36.03 56.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -64.65 -47.88 76.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.657 HD13 HD23 ' A' ' 66' ' ' LEU . 16.7 mt -46.92 -60.77 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' HIS . . . 147.16 127.02 1.74 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.3 m -39.33 -27.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' GLY . 38.1 p-80 -68.7 -44.2 74.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.657 HD23 HD13 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -72.19 -49.55 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -152.54 117.37 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -88.44 137.95 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.806 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.1 mm -117.39 135.81 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.106 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -147.08 141.46 26.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -82.91 144.43 30.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.84 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 66.6 p -93.26 -39.95 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.73 -45.48 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 mt -78.79 -67.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -71.65 121.74 19.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 m -122.76 31.77 5.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -121.59 45.62 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.565 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 10.3 m95 -73.81 -177.85 2.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' TRP . 1.8 m -123.45 131.18 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.523 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 15.1 m95 -33.75 -49.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -62.72 -47.11 85.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.808 ' CD ' HD13 ' A' ' 45' ' ' ILE . 14.7 mt-30 -62.47 -26.2 68.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.538 HD11 HG23 ' A' ' 16' ' ' ILE . 3.8 mm? -65.83 -60.78 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.707 HH11 ' HB1' ' A' ' 131' ' ' ALA . 8.9 mmt85 -55.63 -38.99 70.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.421 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.2 m -40.73 -45.2 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.492 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 71.5 mmm -64.04 -34.44 78.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.849 ' HG2' HD11 ' A' ' 23' ' ' LEU . 33.2 mt-30 -72.85 -42.71 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 9.7 m -81.34 19.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.34 -101.1 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.23 149.39 15.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.412 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 28' ' ' THR . 3.4 m-20 -52.76 -67.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -33.92 -64.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -30.35 -64.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.47 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 t -39.12 -34.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 97' ' ' PHE . 20.3 m -103.99 -50.12 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 96' ' ' SER . 14.2 t80 -33.53 -53.15 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.48 ' CZ ' ' HE3' ' A' ' 111' ' ' LYS . 24.7 m-85 -49.99 -54.5 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -63.28 -49.97 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -39.8 -51.91 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.528 ' HD2' ' HB2' ' A' ' 116' ' ' ALA . 37.3 t60 -63.96 -52.81 57.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 128.9 53.08 0.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.01 87.07 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.2 p -86.41 43.17 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 85.6 m -95.75 138.62 33.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 107' ' ' ASP . 73.9 m-20 -97.74 -46.19 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.51 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 1.3 m-20 -34.13 131.53 0.29 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.498 HG23 ' CE2' ' A' ' 112' ' ' TYR . 86.7 m -75.29 -34.46 61.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 19.4 t-20 -78.14 -13.42 59.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -108.22 -58.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 98' ' ' PHE . 37.3 tttp -41.91 -44.03 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.632 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 17.0 m-85 -78.93 -30.78 44.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 16.9 m-80 -84.74 17.93 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.0 p -100.44 166.18 11.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -63.92 -47.6 79.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.528 ' HB2' ' HD2' ' A' ' 101' ' ' HIS . . . -51.72 -36.19 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.53 -51.04 55.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' LEU . 23.9 mt-30 -52.7 -61.21 2.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 118' ' ' GLN . 76.5 mt -34.35 -43.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.738 ' CE1' HD11 ' A' ' 124' ' ' ILE . 19.7 t80 -60.56 -64.77 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.482 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.0 mtm105 -37.65 -63.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -45.67 -53.31 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -50.35 -42.22 52.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.738 HD11 ' CE1' ' A' ' 120' ' ' TYR . 47.3 mm -56.47 -33.71 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -70.2 -52.42 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.9 t -54.23 -40.8 68.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.474 HD23 ' OE1' ' A' ' 130' ' ' GLN . 52.7 mt -78.2 -54.46 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.87 -42.52 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 p -58.12 -40.32 80.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.474 ' OE1' HD23 ' A' ' 127' ' ' LEU . 38.7 mt-30 -53.71 -71.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.707 ' HB1' HH11 ' A' ' 84' ' ' ARG . . . -46.6 -47.15 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 84' ' ' ARG . 96.7 m -60.72 -72.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -43.25 -50.96 6.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.81 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -45.98 120.87 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 136' ' ' GLY . 19.5 m170 55.03 44.36 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 32.89 -133.54 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.662 HG21 ' O ' ' A' ' 8' ' ' MET . 60.1 p -86.99 39.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.293 . . . . 0.0 111.087 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 140' ' ' TRP . 7.7 t70 -108.27 124.42 50.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.815 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 140' ' ' TRP . 4.0 mm? -55.62 86.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.754 ' CZ2' HD23 ' A' ' 141' ' ' LEU . 10.8 p90 -29.18 -52.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.754 HD23 ' CZ2' ' A' ' 140' ' ' TRP . 2.6 pp -92.32 148.95 21.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -103.46 163.15 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.8 m -76.82 89.03 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 29.9 p -44.43 117.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 94.21 169.66 37.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.545 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 147' ' ' SER . 54.1 Cg_endo -69.66 -32.85 18.18 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.764 2.31 . . . . 0.0 112.368 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 146' ' ' PRO . 42.7 m -36.91 105.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.6 p -154.44 145.81 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.457 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m -158.61 125.49 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -73.34 -45.85 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.46 54.84 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 55.1 42.29 30.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 t -96.59 97.04 9.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.54 84.86 1.82 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.527 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.23 143.6 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.83 135.97 29.42 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.15 153.5 66.36 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.507 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.75 130.92 20.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -70.73 170.41 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -54.07 -59.53 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -41.14 -58.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -49.48 -53.73 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.851 HG23 HD21 ' A' ' 83' ' ' LEU . 58.1 mt -53.99 -35.01 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.26 -30.82 67.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 8.2 m -68.36 -49.35 60.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 83' ' ' LEU . 83.9 mt -61.01 -28.58 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -83.41 -49.26 9.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.2 pttp -48.79 -38.09 21.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -61.74 -35.59 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.591 HD21 ' HA ' ' A' ' 87' ' ' GLN . 80.0 mt -87.71 -60.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' LEU . 18.4 mtp180 -35.23 -47.04 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -41.44 -47.86 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.499 HG12 ' H ' ' A' ' 28' ' ' THR . 15.5 t -53.72 131.66 56.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 111.187 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 7.48 1.0 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.499 ' H ' HG12 ' A' ' 26' ' ' VAL . 16.5 p -117.18 -12.06 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -105.45 -23.13 12.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -80.22 9.15 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 16.5 m -135.08 118.55 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' GLY . 15.8 t -34.56 107.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.15 -26.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.2 -71.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.6 p -98.52 -44.99 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 121.94 11.44 5.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.22 122.36 8.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -64.88 141.74 58.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.542 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 54.2 m-20 64.68 48.35 0.72 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.4 Cg_endo -69.65 81.32 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.433 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 p -43.51 -68.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.469 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 71.6 m95 -45.6 145.41 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.32 130.26 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.3 t -92.01 114.51 27.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.556 HD13 ' CD ' ' A' ' 82' ' ' GLN . 17.1 mt -66.66 -46.25 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.467 HG21 ' HD2' ' A' ' 121' ' ' ARG . 89.5 m -42.12 -61.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.65 ' O ' HG13 ' A' ' 49' ' ' VAL . 51.9 m-85 -94.68 15.64 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.69 54.27 1.09 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 47' ' ' TYR . 5.9 m -131.28 165.19 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 111.07 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -98.95 143.75 28.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -139.14 168.83 18.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.3 p -114.37 149.19 36.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.469 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 5.3 tp -32.11 -43.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' N ' HG23 ' A' ' 53' ' ' ILE . 10.9 t70 -61.43 -71.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' GLY . 77.8 m -55.84 -56.46 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 55' ' ' CYS . 60.6 p -33.6 -35.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.79 -48.24 83.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.575 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.1 m -52.21 -44.97 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.805 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.873 ' HB3' HD11 ' A' ' 69' ' ' ILE . 11.1 m-70 -61.42 -47.59 85.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -48.99 -38.06 22.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -64.71 -47.48 78.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.751 ' HB3' HD13 ' A' ' 66' ' ' LEU . 76.1 mt -44.87 -47.25 11.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 129.1 133.55 3.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.551 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.5 m -46.21 -25.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.4 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 34.2 p-80 -77.03 -35.31 57.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.7 tt -79.63 -39.21 32.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -162.26 105.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -79.94 127.79 32.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.873 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.8 mm -104.14 147.24 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -163.07 123.79 2.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.4 m -60.55 -176.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.1 p -118.59 -32.25 4.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.06 -53.6 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.28 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.77 117.7 5.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.0 p -124.37 -20.04 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -81.32 40.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.465 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 6.9 m95 -65.01 176.03 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' TRP . 15.2 m -118.37 124.72 48.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.57 ' NE1' HG22 ' A' ' 137' ' ' THR . 74.4 m95 -33.38 -53.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.66 -49.76 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.556 ' CD ' HD13 ' A' ' 45' ' ' ILE . 61.5 mt-30 -54.12 -45.22 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.851 HD21 HG23 ' A' ' 16' ' ' ILE . 8.3 mt -53.57 -59.4 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.882 HH11 ' HB1' ' A' ' 131' ' ' ALA . 11.5 mmt85 -45.98 -48.99 16.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.524 ' HA ' HG22 ' A' ' 88' ' ' VAL . 80.4 m -40.42 -32.08 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 86.0 mmm -72.32 -42.75 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.591 ' HA ' HD21 ' A' ' 23' ' ' LEU . 26.0 mt-30 -72.27 -38.16 68.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 85' ' ' CYS . 14.3 m -83.12 23.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.1 -92.45 0.24 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.36 164.27 38.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.524 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.14 -64.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -43.91 -49.8 8.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.055 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' ALA . 1.8 m -34.36 -54.23 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -70.48 -51.12 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.7 t -35.76 -36.94 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' PHE . 65.7 m -97.74 -54.89 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 101' ' ' HIS . 43.1 t80 -34.53 -49.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 117' ' ' ALA . 27.7 m-85 -61.16 -59.93 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -50.42 -56.8 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -41.96 -41.96 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.751 ' CE1' HD12 ' A' ' 119' ' ' LEU . 5.6 m170 -66.83 -58.14 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.28 41.7 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.474 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 45.2 t -115.67 82.94 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.2 t -80.72 46.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 45.2 m -111.09 136.01 50.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.181 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 107' ' ' ASP . 39.3 m-80 -99.87 -42.6 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 1.5 m-20 -34.83 136.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.575 HG21 ' HB3' ' A' ' 58' ' ' SER . 87.6 m -76.29 -38.62 55.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 19.9 t-20 -77.02 -7.71 56.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.564 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -113.59 -59.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 37.6 tttp -45.56 -39.79 7.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 46.9 m-85 -83.69 -27.91 28.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 17.4 m-80 -87.49 21.03 2.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.5 p -106.81 175.67 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -67.61 -53.33 29.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.05 16.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.533 ' HA ' ' CZ ' ' A' ' 98' ' ' PHE . . . -62.63 -53.82 48.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 119' ' ' LEU . 16.6 mm-40 -50.11 -63.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.751 HD12 ' CE1' ' A' ' 101' ' ' HIS . 43.2 mt -35.94 -38.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.593 ' CE1' HD11 ' A' ' 124' ' ' ILE . 24.5 t80 -61.8 -62.64 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.467 ' HD2' HG21 ' A' ' 46' ' ' THR . 12.6 mtm105 -38.67 -65.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -47.42 -53.86 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.22 -49.83 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 120' ' ' TYR . 22.0 mm -55.92 -40.98 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -57.13 -40.15 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 m -68.19 -68.41 0.39 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.457 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 7.9 mt -47.25 -41.21 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.475 ' N ' HG21 ' A' ' 88' ' ' VAL . . . -58.88 -38.47 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 9.8 t -63.72 -33.12 74.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.39 -59.86 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.882 ' HB1' HH11 ' A' ' 84' ' ' ARG . . . -51.06 -53.24 35.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 133' ' ' ARG . 6.9 m -61.48 -59.55 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 132' ' ' THR . 4.3 tpt180 -33.38 -60.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -53.06 -60.41 3.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 140' ' ' TRP . 21.4 m-70 -116.75 84.35 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -49.97 -79.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.439 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.57 HG22 ' NE1' ' A' ' 80' ' ' TRP . 30.4 p -102.41 40.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 111.079 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -138.19 177.11 8.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 140' ' ' TRP . 48.0 mt -111.57 90.44 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.612 ' CH2' HD11 ' A' ' 141' ' ' LEU . 8.2 p90 -34.06 -43.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.612 HD11 ' CH2' ' A' ' 140' ' ' TRP . 4.9 mp -37.38 140.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -53.82 -48.05 70.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.1 t -85.32 105.97 16.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -110.04 81.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 65.31 129.48 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -2.48 10.25 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 83.5 p -82.16 -49.45 10.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.2 m -129.14 149.65 50.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.196 -0.78 . . . . 0.0 112.419 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -53.29 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -80.32 132.08 35.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.4 -147.56 4.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -99.31 154.34 18.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.935 0.398 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -126.51 116.51 21.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.12 62.69 6.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.74 -46.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.02 -162.29 48.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -123.86 155.58 66.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 54.3 Cg_endo -69.72 150.48 68.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.405 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.8 m -101.35 165.62 11.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -58.04 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.7 -56.21 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -55.0 -48.41 73.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.848 HG23 HD21 ' A' ' 83' ' ' LEU . 64.7 mt -56.62 -46.62 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.1 mt -50.63 -35.54 30.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.458 HG21 ' CD2' ' A' ' 139' ' ' LEU . 98.1 m -62.4 -68.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.203 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.572 HD13 HD13 ' A' ' 83' ' ' LEU . 2.2 mp -36.84 -33.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.696 ' CZ ' HG22 ' A' ' 72' ' ' THR . 16.4 m-85 -82.65 -53.38 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -44.6 -24.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -77.26 -43.56 32.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.925 HD21 ' HA ' ' A' ' 87' ' ' GLN . 31.9 mt -81.69 -53.8 5.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' SER . 61.5 mtm180 -45.35 -49.78 12.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.789 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ARG . 5.2 t -36.63 -51.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 26' ' ' VAL . 4.9 t -51.58 132.51 35.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 7.65 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.68 2.254 . . . . 0.0 112.38 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -115.12 -13.57 11.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 92.1 m-20 -106.81 -20.74 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -81.78 12.43 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' CYS . 4.7 m -134.03 117.16 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' VAL . 18.3 t -34.0 98.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -39.88 -27.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' CYS . 3.4 t0 -69.22 -71.48 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.53 -44.81 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 125.46 6.44 6.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.87 124.6 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.065 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -69.94 144.74 52.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.6 m-20 63.0 48.68 1.03 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.752 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.65 80.12 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.358 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 m -41.26 -64.05 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -47.96 138.99 8.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.38 126.03 17.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 t -93.26 110.82 22.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.573 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 12.6 mt -65.2 -40.06 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 89.6 m -46.2 -60.28 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.863 ' O ' HG13 ' A' ' 49' ' ' VAL . 22.6 m-85 -95.51 17.19 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' TYR . . . 35.34 47.84 0.82 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.863 HG13 ' O ' ' A' ' 47' ' ' TYR . 23.2 m -127.88 178.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 111.121 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.547 ' O ' HD23 ' A' ' 51' ' ' LEU . 61.1 m-85 -109.79 149.98 29.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 50' ' ' PHE . 24.1 mt -146.48 172.88 12.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' ILE . 22.8 p -117.89 150.13 39.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.7 tp -33.55 -39.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.04 -71.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 56' ' ' SER . 78.4 m -55.96 -56.46 20.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.482 ' C ' ' O ' ' A' ' 55' ' ' CYS . 60.7 p -31.08 -43.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.507 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -53.6 -48.9 59.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.507 ' HB3' HG21 ' A' ' 108' ' ' THR . 1.9 m -48.09 -43.15 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.747 ' HB3' HD11 ' A' ' 69' ' ' ILE . 16.7 m-70 -66.67 -45.15 79.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.507 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 41.4 mtm180 -50.19 -45.03 53.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 t -57.43 -47.11 82.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.699 ' HB3' HD13 ' A' ' 66' ' ' LEU . 76.2 mt -46.15 -47.89 17.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.417 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 133.4 129.77 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 m -43.42 -26.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.417 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 35.6 p-80 -75.86 -39.77 55.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.699 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.8 tt -73.29 -42.19 62.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 105.0 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -80.42 128.21 33.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.747 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.7 mm -108.63 147.91 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 78' ' ' TRP . 26.2 mtp180 -157.19 125.54 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -65.0 161.81 17.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.696 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 28.1 p -105.02 -33.59 8.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -83.56 -62.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.34 -68.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.22 118.88 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 m -130.41 34.78 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -123.82 38.26 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.573 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 15.1 m95 -73.13 142.5 47.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.14 149.79 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.578 ' CZ2' ' HA ' ' A' ' 137' ' ' THR . 9.8 m95 -52.15 -36.67 52.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.19 -47.16 52.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 90.4 mt-30 -61.72 -41.99 98.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.848 HD21 HG23 ' A' ' 16' ' ' ILE . 44.7 mt -53.73 -54.14 42.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 34.5 mmt-85 -55.3 -41.64 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 82' ' ' GLN . 81.1 m -45.1 -30.06 1.03 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.555 ' C ' HD11 ' A' ' 23' ' ' LEU . 82.8 mmm -76.0 -37.85 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.925 ' HA ' HD21 ' A' ' 23' ' ' LEU . 20.0 mt-30 -73.27 -54.81 7.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.474 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 27.9 m -56.34 -12.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.88 -129.17 4.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.71 166.96 11.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -62.63 -74.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -37.55 -50.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' ALA . 38.0 m -35.2 -52.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.89 -46.88 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -38.09 -41.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.9 t -90.74 -49.91 6.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -40.39 -50.45 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -55.25 -59.03 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 100' ' ' GLN . 2.9 t-160 -55.94 -59.71 4.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 99' ' ' HIS . 14.1 mt-30 -37.51 -44.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.467 ' CG ' ' HB2' ' A' ' 116' ' ' ALA . 32.4 t60 -67.53 -56.49 9.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 128.3 49.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 20.0 t -103.53 -52.47 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.6 t 40.11 43.71 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.777 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.4 m -108.17 119.39 39.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -77.48 -35.77 53.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.28 174.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.507 HG21 ' HB3' ' A' ' 58' ' ' SER . 98.4 m -115.65 -45.78 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.491 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 20.8 t-20 -71.76 -4.53 28.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.94 -53.6 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -51.45 -40.59 59.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.47 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 61.7 m-85 -83.73 -27.51 28.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 17.7 m-80 -87.2 20.56 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.5 p -102.44 170.91 7.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.588 ' NE ' HD21 ' A' ' 119' ' ' LEU . 18.1 tpt180 -62.8 -56.26 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.467 ' HB2' ' CG ' ' A' ' 101' ' ' HIS . . . -43.16 -48.08 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.066 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.93 -50.28 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -58.38 -60.58 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.588 HD21 ' NE ' ' A' ' 115' ' ' ARG . 49.2 mt -38.8 -37.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -65.13 -60.9 2.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.49 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 12.6 mtm105 -39.5 -64.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -45.64 -51.84 11.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -50.85 -48.94 59.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.7 mm -50.95 -44.87 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -57.94 -45.73 86.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 m -57.72 -67.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.474 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 29.0 mt -46.85 -51.42 16.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.44 -43.66 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.7 m -53.94 -46.92 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -51.11 -57.49 8.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.409 ' HB1' ' HD2' ' A' ' 84' ' ' ARG . . . -64.59 -37.24 86.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 133' ' ' ARG . 86.6 m -62.71 -67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 132' ' ' THR . 27.6 ttt85 -35.23 -54.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 135' ' ' HIS . 11.7 tptt -44.08 166.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.498 ' C ' ' O ' ' A' ' 134' ' ' LYS . 9.8 m170 -30.7 98.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.469 ' O ' ' C ' ' A' ' 137' ' ' THR . . . -57.47 -108.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.55 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.578 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 71.6 p -32.63 -44.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.719 0.295 . . . . 0.0 111.108 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 139' ' ' LEU . 43.0 m-20 -73.71 89.26 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 138' ' ' ASP . 4.5 mp -32.7 110.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.523 ' CZ2' ' OE1' ' A' ' 87' ' ' GLN . 20.3 p90 -37.61 -49.84 1.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.512 ' N ' ' CG ' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -77.64 170.62 16.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.07 104.55 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 27.0 t -73.21 108.15 5.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 51.6 p -101.06 139.11 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 131.1 -167.84 22.24 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 178.19 4.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 0.0 112.3 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 27.8 p -76.3 83.83 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.792 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.3 m -160.12 148.9 17.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . 0.419 ' C ' ' HB ' ' A' ' 137' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.443 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -141.39 173.83 11.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.918 0.39 . . . . 0.0 110.815 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -111.28 177.92 4.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.6 169.04 13.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -59.02 165.9 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.9 p -117.21 43.13 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.47 130.73 6.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.555 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.467 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -135.73 145.02 46.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 8' ' ' MET . . . 33.03 67.71 0.19 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.427 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.24 141.35 6.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.05 3.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.658 2.238 . . . . 0.0 112.393 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -67.49 164.96 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -44.69 -63.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -39.71 -56.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' HD12 ' A' ' 19' ' ' ILE . 6.4 m-20 -50.8 -50.29 56.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.891 HG23 HD11 ' A' ' 83' ' ' LEU . 38.4 mt -59.77 -43.32 91.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.3 mt -50.68 -35.86 32.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' PHE . 96.3 m -64.54 -69.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.71 HG23 ' CG ' ' A' ' 87' ' ' GLN . 4.4 mp -32.99 -36.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.692 ' CZ ' HG22 ' A' ' 72' ' ' THR . 23.2 m-85 -82.53 -54.45 5.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -39.91 -29.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' PHE . 37.0 ttt180 -78.27 -46.5 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -73.97 -59.68 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 17.6 mtm105 -40.62 -48.35 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 t -43.79 -41.34 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG12 ' H ' ' A' ' 28' ' ' THR . 24.0 t -58.01 134.66 83.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.648 0.737 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.434 ' HD2' HG13 ' A' ' 26' ' ' VAL . 53.9 Cg_endo -69.78 10.35 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.494 ' H ' HG12 ' A' ' 26' ' ' VAL . 48.2 p -121.99 -12.15 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.455 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 97.7 m-20 -104.66 -25.83 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -75.3 5.77 5.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.578 HG12 ' HG3' ' A' ' 38' ' ' LYS . 18.2 m -133.43 128.67 55.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' GLY . 16.1 t -44.15 112.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -52.67 -28.51 21.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.83 -67.87 0.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.9 p -101.21 -49.15 4.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 129.4 9.14 3.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.5 121.83 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.578 ' HG3' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.28 141.12 54.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 47.1 t30 70.36 50.92 0.37 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.689 0.757 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.5 Cg_endo -69.77 81.33 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.386 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.6 p -44.48 -48.54 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 75.4 m95 -70.27 150.74 46.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.26 128.01 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -91.95 111.44 22.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.558 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 15.7 mt -64.14 -45.41 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -40.86 -59.67 1.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.582 ' O ' HG13 ' A' ' 49' ' ' VAL . 80.7 m-85 -96.01 14.13 24.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.54 48.18 2.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 47' ' ' TYR . 5.2 m -126.84 168.58 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 29' ' ' ASN . 44.4 m-85 -99.99 143.56 30.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 39.0 mt -138.61 165.62 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' ASP . 30.0 p -111.73 149.53 31.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.48 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 3.2 tp -35.55 -31.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' CYS . 8.7 t70 -71.36 -70.75 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' SER . 84.7 m -54.82 -53.71 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' CYS . 69.6 p -33.21 -46.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.77 -47.83 30.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.808 ' HB3' HG21 ' A' ' 108' ' ' THR . 1.8 m -52.63 -45.11 66.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.833 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.89 ' HB3' HD11 ' A' ' 69' ' ' ILE . 17.7 m-70 -62.24 -48.24 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -50.74 -31.73 17.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t -69.69 -51.0 38.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.904 ' HB3' HD13 ' A' ' 66' ' ' LEU . 42.0 mt -45.05 -41.32 7.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 124.59 129.99 3.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -42.2 -29.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.497 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 41.4 p-80 -70.6 -39.18 73.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.904 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.7 tt -74.13 -43.46 57.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -157.11 105.06 2.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -76.57 132.29 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.89 HD11 ' HB3' ' A' ' 59' ' ' HIS . 4.9 mm -107.13 153.18 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 9.4 mtp85 -168.47 124.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.8 m -62.82 -176.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.692 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 20.7 p -119.66 -47.94 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.11 -49.65 16.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.34 -65.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.59 111.32 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p -118.83 -14.64 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -79.22 43.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.558 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 10.0 m95 -72.6 -174.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.624 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -129.71 148.49 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.4 ' HE1' HG22 ' A' ' 137' ' ' THR . 23.9 m95 -52.81 -35.05 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -74.46 -41.67 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -67.99 -30.44 69.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.891 HD11 HG23 ' A' ' 16' ' ' ILE . 3.7 mm? -63.68 -61.72 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 12.5 mmt180 -54.76 -36.69 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 m -45.53 -47.22 14.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.4 mmm -63.08 -38.72 92.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.71 ' CG ' HG23 ' A' ' 19' ' ' ILE . 17.3 mt-30 -69.44 -60.47 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 35.8 m -48.98 -26.33 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.41 -127.65 5.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.32 175.66 14.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.403 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 2.0 m-20 -66.46 -61.64 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -45.2 -48.96 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.2 m -38.45 -55.02 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.482 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -69.87 -45.59 67.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' ALA . 26.9 t -37.11 -39.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 97' ' ' PHE . 49.7 m -100.38 -47.63 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 96' ' ' SER . 3.3 t80 -35.7 -54.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -57.21 -64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 102' ' ' GLY . 3.9 t-160 -45.07 -56.76 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -42.37 -40.31 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' GLY . 3.9 m170 -88.54 33.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 99' ' ' HIS . . . 36.55 45.62 1.01 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 6.0 m -132.48 94.34 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.4 p -112.91 80.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 55.8 m -106.64 115.47 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -86.51 43.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -124.92 -174.73 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.808 HG21 ' HB3' ' A' ' 58' ' ' SER . 92.1 m -124.02 -34.18 3.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -90.09 -6.91 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.28 -39.64 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -65.46 -45.29 84.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.428 ' CZ ' ' NE2' ' A' ' 59' ' ' HIS . 66.3 m-85 -79.95 -13.38 59.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -102.61 21.59 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 p -106.59 165.35 11.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -56.93 -55.01 40.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.53 -50.46 9.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.43 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.081 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -51.86 -60.53 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.7 mt -41.24 -39.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.444 ' CE1' HD11 ' A' ' 124' ' ' ILE . 23.6 t80 -61.36 -60.15 4.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 11.3 mtm105 -41.7 -65.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -47.28 -48.68 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 123' ' ' LYS . 18.0 ttpt -51.71 -60.38 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.444 HD11 ' CE1' ' A' ' 120' ' ' TYR . 33.4 mm -40.3 -48.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -54.58 -43.2 71.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.6 t -61.86 -59.34 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 7.2 mt -55.09 -54.49 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 88' ' ' VAL . . . -39.27 -47.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.1 t -53.24 -49.84 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -44.99 -56.62 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 84' ' ' ARG . . . -68.36 -33.63 74.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 133' ' ' ARG . 89.6 m -66.92 -74.14 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' THR . 10.7 mtt85 -36.74 -56.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 99.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 3.4 m80 61.49 53.29 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -44.3 -75.71 0.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.4 HG22 ' HE1' ' A' ' 80' ' ' TRP . 38.5 p -77.77 47.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 111.146 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -169.43 116.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.564 HD22 HD12 ' A' ' 141' ' ' LEU . 14.8 mt -53.04 94.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.452 ' C ' ' O ' ' A' ' 139' ' ' LEU . 3.9 p90 -34.15 -37.52 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.564 HD12 HD22 ' A' ' 139' ' ' LEU . 6.0 mt -36.76 132.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 141' ' ' LEU . 12.7 m-20 -34.92 141.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.8 t -46.16 117.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 11.9 t -102.45 174.24 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -111.26 75.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 179.41 3.73 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.9 m -109.0 167.08 10.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 30.5 t -101.66 107.83 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.474 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 t -61.76 85.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.851 0.358 . . . . 0.0 110.816 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -111.54 100.4 8.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.94 63.9 0.37 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -112.05 101.34 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -69.49 142.16 53.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.801 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.1 104.65 1.81 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -137.93 144.31 41.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.91 125.97 7.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.91 152.2 87.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 0.0 110.832 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.9 Cg_endo -69.74 122.53 9.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -66.26 162.89 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -44.78 -66.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HA ' HD12 ' A' ' 17' ' ' LEU . 4.2 pt20 -41.41 -48.53 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -54.8 -50.44 68.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.936 HG23 HD21 ' A' ' 83' ' ' LEU . 59.6 mt -59.26 -36.29 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 14' ' ' GLN . 96.5 mt -56.04 -38.41 70.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' PHE . 74.7 m -64.22 -67.66 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' THR . 1.7 mp -33.07 -36.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.686 ' CZ ' HG22 ' A' ' 72' ' ' THR . 35.2 m-85 -85.3 -60.61 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' PHE . 8.2 ptmt -35.54 -33.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' PHE . 40.7 ttt-85 -67.67 -46.71 71.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.724 HD21 ' HA ' ' A' ' 87' ' ' GLN . 44.9 mt -76.16 -41.18 50.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -48.86 -49.15 40.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.9 t -42.3 -44.64 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.498 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 5.4 t -54.85 136.82 65.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.552 0.691 . . . . 0.0 111.17 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.498 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.0 Cg_endo -69.7 -34.09 15.47 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.1 p -81.32 -9.14 59.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' HA ' ' CG ' ' A' ' 91' ' ' ASN . 17.3 m-20 -103.2 -29.76 11.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 14.4 ptpt -79.56 13.81 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.2 m -134.02 121.54 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 15.1 t -40.63 102.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.641 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -41.86 -26.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 2.2 t70 -71.03 -72.35 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.4 p -97.04 -47.27 5.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.95 10.62 4.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.7 122.21 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -65.46 146.6 54.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.1 m-20 60.78 51.75 2.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.68 80.13 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 p -41.58 -60.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -54.42 143.86 22.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -146.44 126.08 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -93.3 110.37 21.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.591 HD13 ' CD ' ' A' ' 82' ' ' GLN . 12.7 mt -63.68 -38.08 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 3.2 m -40.72 -64.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.585 ' O ' HG13 ' A' ' 49' ' ' VAL . 23.4 m-85 -98.85 15.37 25.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 43.88 44.52 7.2 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 47' ' ' TYR . 16.1 m -122.22 164.41 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -98.45 147.67 24.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 16.7 mt -143.35 171.67 13.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' ILE . 25.9 p -116.34 147.42 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.6 tp -33.55 -43.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 53' ' ' ILE . 1.4 m-20 -59.06 -59.38 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 56' ' ' SER . 95.8 m -68.76 -59.05 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' CYS . 78.1 p -32.21 -39.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -54.53 -49.49 60.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.452 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.444 ' HB3' HG21 ' A' ' 108' ' ' THR . 3.1 m -52.34 -45.31 65.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.379 . . . . 0.0 110.802 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.802 ' HB3' HD11 ' A' ' 69' ' ' ILE . 14.4 m-70 -60.31 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -54.74 -33.18 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.7 t -65.06 -47.68 76.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.82 ' HB3' HD13 ' A' ' 66' ' ' LEU . 36.9 mt -48.08 -52.24 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 138.75 129.62 2.69 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.546 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 65' ' ' HIS . 16.1 m -36.27 -41.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.443 ' N ' HG23 ' A' ' 64' ' ' VAL . 16.5 p-80 -63.12 -42.78 99.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.4 mt -68.14 -43.37 78.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.64 105.27 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.413 ' CE2' ' HD3' ' A' ' 70' ' ' ARG . 8.2 t80 -77.82 121.54 24.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.802 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.9 mm -107.56 141.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.6 ' HB2' ' CZ2' ' A' ' 78' ' ' TRP . 7.2 mmm180 -150.98 149.17 29.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 m -86.72 146.4 26.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.686 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 78.6 p -92.32 -30.51 15.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.157 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -93.69 -55.36 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.8 -70.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.13 120.57 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -122.66 33.1 5.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.432 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 0.9 OUTLIER -120.45 36.28 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.6 ' CZ2' ' HB2' ' A' ' 70' ' ' ARG . 11.7 m95 -70.83 145.72 50.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 80' ' ' TRP . 51.4 p -93.47 137.09 33.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.5 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 91.0 m95 -33.23 -39.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 79' ' ' SER . 22.5 t80 -66.91 -63.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.591 ' CD ' HD13 ' A' ' 45' ' ' ILE . 27.0 mt-30 -47.87 -34.95 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.936 HD21 HG23 ' A' ' 16' ' ' ILE . 15.4 mt -62.84 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 58.3 mmt-85 -54.74 -32.97 60.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.0 m -50.88 -24.82 3.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 71.4 mmm -79.77 -43.88 21.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.724 ' HA ' HD21 ' A' ' 23' ' ' LEU . 20.2 mt-30 -67.89 -58.3 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.0 m -48.5 -19.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.33 -114.83 4.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.12 155.95 10.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.415 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.422 ' CG ' ' HA ' ' A' ' 29' ' ' ASN . 1.4 m-20 -56.1 -64.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.26 -47.54 46.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -39.38 -47.94 1.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.59 -49.42 14.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.3 t -37.98 -41.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 97' ' ' PHE . 16.3 m -90.19 -56.75 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 96' ' ' SER . 4.6 t80 -34.17 -58.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -49.69 -53.23 25.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -57.31 -53.87 53.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -38.21 -48.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -68.86 -46.29 68.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.55 43.26 1.16 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.8 p -54.09 -44.2 71.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.6 m 54.1 41.53 31.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.7 m -135.39 139.88 44.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -110.8 -30.85 7.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -51.81 -178.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 58' ' ' SER . 97.0 m -116.1 -37.44 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -79.95 -7.85 59.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.06 -51.73 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -51.71 -43.6 62.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.457 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 52.7 m-85 -80.76 -27.55 36.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.485 HD21 HD22 ' A' ' 62' ' ' LEU . 14.5 m-80 -87.29 22.56 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.6 p -113.59 164.32 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.451 ' HD2' ' CD ' ' A' ' 118' ' ' GLN . 2.6 tpt180 -56.28 -55.42 33.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -41.2 -28.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.2 -43.78 20.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.498 ' CG ' ' N ' ' A' ' 119' ' ' LEU . 3.9 pt20 -62.69 -48.01 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.498 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 84.8 mt -48.77 -30.27 5.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -77.84 -50.81 11.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.48 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 26.5 mtm180 -54.08 -60.64 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -46.12 -42.14 13.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -62.21 -41.57 98.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.85 -37.94 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -67.19 -33.78 76.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 m -73.23 -44.07 60.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 130' ' ' GLN . 25.4 mt -69.36 -60.89 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -33.91 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 127' ' ' LEU . 9.1 t -61.26 -47.45 85.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 127' ' ' LEU . 6.3 pt20 -50.27 -44.54 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.451 ' N ' ' CG ' ' A' ' 130' ' ' GLN . . . -77.12 -37.39 54.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.2 m -69.55 -68.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -43.09 -56.05 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 135' ' ' HIS . 81.4 tttt -41.85 143.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 136' ' ' GLY . 18.2 m-70 34.52 41.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 32.78 -120.44 0.21 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 51.7 p -96.52 42.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.353 . . . . 0.0 111.168 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 140' ' ' TRP . 1.4 t70 -122.77 113.37 19.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 140' ' ' TRP . 17.8 mt -34.06 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' ' 138' ' ' ASP . 11.0 p90 -33.39 -42.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.581 ' H ' HD12 ' A' ' 141' ' ' LEU . 5.4 mp -35.31 -59.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -162.27 154.05 18.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t -81.14 149.91 28.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.3 t -100.96 150.74 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -63.97 -177.77 5.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 97.84 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.659 2.239 . . . . 0.0 112.383 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 95.1 p -104.62 163.21 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.9 m -134.68 165.14 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.532 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -150.28 155.09 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.817 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 t -55.3 -53.82 51.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.25 78.8 0.59 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -53.49 -48.36 69.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.925 0.393 . . . . 0.0 110.834 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -113.73 101.31 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.54 -110.57 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.467 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 9' ' ' GLY . 22.8 ptt? -134.29 -39.59 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' N ' ' HG3' ' A' ' 8' ' ' MET . . . 148.26 160.9 9.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -121.13 141.47 32.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.438 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.72 108.63 2.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.651 2.234 . . . . 0.0 112.4 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.0 m -63.42 166.58 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -60.14 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.696 ' HA ' HD12 ' A' ' 17' ' ' LEU . 4.5 pt20 -44.63 -45.89 9.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -63.28 -51.58 65.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.701 HG23 HD11 ' A' ' 83' ' ' LEU . 67.6 mt -55.12 -44.57 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 14' ' ' GLN . 17.6 mt -53.87 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' ILE . 12.0 m -39.25 -72.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.631 HG23 ' NE2' ' A' ' 87' ' ' GLN . 75.0 mt -33.84 -39.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.535 ' CZ ' HG22 ' A' ' 72' ' ' THR . 4.8 m-85 -75.68 -58.52 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 1.5 ptpp? -43.62 -39.3 3.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 3.8 tmm_? -59.59 -38.22 80.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.604 HD21 ' HA ' ' A' ' 87' ' ' GLN . 72.9 mt -82.89 -40.41 20.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' SER . 66.4 mtp85 -52.8 -46.46 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' ARG . 1.1 t -38.23 -50.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.437 ' H ' HG23 ' A' ' 26' ' ' VAL . 2.5 t -53.07 133.69 49.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HA ' ' HG2' ' A' ' 30' ' ' LYS . 53.6 Cg_endo -69.88 -14.73 36.09 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.43 ' H ' HG12 ' A' ' 26' ' ' VAL . 66.4 p -94.02 -14.2 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -101.48 -30.18 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.1 ptpt -75.3 8.19 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.408 HG12 ' HG2' ' A' ' 38' ' ' LYS . 16.4 m -132.47 121.66 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 13.5 t -38.34 109.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.532 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -49.02 -26.08 2.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.65 -71.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.2 p -98.24 -47.54 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.69 8.73 4.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.78 119.28 3.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.383 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG2' HG12 ' A' ' 31' ' ' VAL . 34.8 mttp -65.39 139.64 58.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 36.6 m-80 67.52 52.47 0.63 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.695 0.759 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.76 81.53 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.674 2.249 . . . . 0.0 112.29 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -46.83 -50.98 17.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.445 ' CZ2' HD12 ' A' ' 53' ' ' ILE . 90.0 m95 -62.3 143.42 56.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.92 138.29 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 t -104.68 106.46 16.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.576 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.2 mt -57.46 -45.55 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -40.18 -62.73 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.578 ' O ' HG13 ' A' ' 49' ' ' VAL . 63.5 m-85 -95.46 16.47 16.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 37.63 40.27 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 47' ' ' TYR . 3.8 m -117.29 173.77 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -107.97 148.25 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 21.7 mt -142.93 173.27 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' ILE . 28.6 p -114.51 153.13 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.445 HD12 ' CZ2' ' A' ' 42' ' ' TRP . 3.1 tp -37.94 -32.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -71.82 -73.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 56' ' ' SER . 85.3 m -51.06 -55.26 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' CYS . 79.4 p -34.42 -45.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.511 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -51.28 -45.33 52.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.753 ' HB3' HG21 ' A' ' 108' ' ' THR . 1.8 m -52.45 -43.28 64.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.813 ' HB3' HD11 ' A' ' 69' ' ' ILE . 11.6 m-70 -64.85 -46.97 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.511 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 38.8 mtm180 -49.18 -38.93 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' LEU . 25.3 t -63.83 -57.6 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 59' ' ' HIS . 13.7 mt -37.02 -50.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 137.45 126.92 2.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.7 m -43.05 -24.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 111.185 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.48 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 35.9 p-80 -72.67 -40.08 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -72.03 -50.75 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -149.19 105.78 3.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -76.85 132.98 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.813 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.1 mm -109.53 147.81 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' NH1' ' CG ' ' A' ' 75' ' ' ASP . 17.1 mtt-85 -165.76 130.59 2.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.4 m -68.33 179.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.535 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 51.5 p -116.2 -46.62 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.5 -48.76 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mt -72.88 -64.53 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.453 ' CG ' ' NH1' ' A' ' 70' ' ' ARG . 41.3 m-20 -63.82 121.63 14.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 4.7 p -124.94 -15.73 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -82.04 40.86 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 9.1 m95 -70.74 -174.69 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.593 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -129.14 148.17 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.874 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.446 ' NE1' HG22 ' A' ' 137' ' ' THR . 23.5 m95 -52.07 -35.25 46.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -71.5 -46.83 58.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -67.93 -27.77 66.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.701 HD11 HG23 ' A' ' 16' ' ' ILE . 1.8 mm? -64.72 -62.32 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HE ' ' HB1' ' A' ' 131' ' ' ALA . 18.1 mmt-85 -60.01 -32.3 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.434 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 5.8 m -48.56 -30.44 5.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.5 mmm -75.57 -43.88 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.631 ' NE2' HG23 ' A' ' 19' ' ' ILE . 15.4 mt-30 -66.51 -58.82 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 33.5 m -48.43 -20.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.64 -124.27 5.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.7 152.19 8.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.518 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.56 -51.62 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -56.98 -52.63 64.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 92' ' ' ALA . 24.2 m -36.19 -55.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.803 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -69.15 -45.91 68.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 94' ' ' ALA . 5.3 t -36.61 -37.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' PHE . 7.2 m -99.07 -50.36 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.438 ' CE1' ' CD2' ' A' ' 101' ' ' HIS . 24.5 t80 -36.22 -49.87 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.483 ' CZ ' ' HE3' ' A' ' 111' ' ' LYS . 19.3 m-85 -53.06 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -50.42 -55.0 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -45.68 -40.37 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.438 ' CD2' ' CE1' ' A' ' 97' ' ' PHE . 21.2 m-70 -90.22 38.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 43.6 66.74 1.17 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 50.2 t -162.95 106.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.81 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.5 m -127.47 44.18 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 98.4 m -82.24 134.71 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -88.26 -35.17 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.43 175.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.753 HG21 ' HB3' ' A' ' 58' ' ' SER . 32.1 m -113.47 -41.91 3.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 24.9 t-20 -78.34 -2.61 38.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.59 -50.53 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HE3' ' CZ ' ' A' ' 98' ' ' PHE . 30.1 tttp -54.75 -42.83 72.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.435 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 54.7 m-85 -82.28 -25.49 33.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.9 m-80 -86.82 18.13 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.7 p -97.82 -178.2 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -79.65 -44.26 21.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.95 -39.81 72.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.42 -50.73 66.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -49.99 -55.91 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 63.7 mt -47.59 -35.06 8.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.803 ' CE2' ' HB2' ' A' ' 94' ' ' ALA . 12.0 t80 -62.01 -47.35 85.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 7.6 mtm105 -58.77 -58.56 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.815 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.525 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 11.3 pt-20 -52.31 -41.25 62.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 122' ' ' GLU . 18.0 ttmt -59.73 -45.4 92.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 35.2 mm -59.11 -33.85 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -63.35 -40.68 97.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 m -67.9 -54.18 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.592 HD23 ' OE1' ' A' ' 130' ' ' GLN . 19.8 mt -61.2 -53.45 56.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.434 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -43.42 -38.99 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.2 m -66.86 -33.76 76.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.592 ' OE1' HD23 ' A' ' 127' ' ' LEU . 39.5 mt-30 -57.36 -57.31 13.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.471 ' HB1' ' HE ' ' A' ' 84' ' ' ARG . . . -64.39 -40.65 96.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 84.8 m -59.42 -51.53 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 134' ' ' LYS . 30.3 ttt85 -74.27 -33.61 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 133' ' ' ARG . 22.1 tptm -32.46 -63.55 0.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 138' ' ' ASP . 2.2 t-160 -126.5 42.87 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.831 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . 33.98 -100.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.446 HG22 ' NE1' ' A' ' 80' ' ' TRP . 21.5 p -115.85 69.11 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.122 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.522 ' HB3' ' CG ' ' A' ' 135' ' ' HIS . 9.1 t70 -161.54 135.62 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.56 HD12 HD23 ' A' ' 141' ' ' LEU . 4.6 mm? -59.57 95.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.546 ' CH2' ' OE1' ' A' ' 87' ' ' GLN . 9.1 p90 -44.47 -24.2 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.56 HD23 HD12 ' A' ' 139' ' ' LEU . 3.5 mm? -45.14 152.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -41.42 129.56 3.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.7 t -102.7 83.82 2.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 27.3 p -110.0 126.77 54.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 44.67 64.11 2.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 149.49 66.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.5 t -130.86 147.79 52.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 28.6 t -49.06 118.27 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.066 -0.852 . . . . 0.0 112.499 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 p -117.85 41.07 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -99.62 151.91 20.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.35 -147.21 4.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -154.08 169.97 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 m -109.16 109.03 19.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.01 44.19 2.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.462 ' O ' HG21 ' A' ' 137' ' ' THR . 0.1 OUTLIER -82.94 35.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 43.86 -155.88 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -139.66 156.38 71.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.553 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.5 Cg_endo -69.79 117.3 5.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -61.71 163.15 7.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -43.57 -60.94 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -42.64 -55.03 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -50.39 -54.1 24.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.069 HG23 HD21 ' A' ' 83' ' ' LEU . 49.4 mt -54.22 -47.89 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.9 mt -46.68 -36.19 6.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' PHE . 52.0 m -64.42 -70.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.64 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.6 mp -32.37 -35.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' A' ' 72' ' ' THR . 24.1 m-85 -83.62 -54.39 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' A' ' 22' ' ' ARG . 1.6 ptmm? -38.98 -41.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 21' ' ' LYS . 13.7 ttt-85 -62.0 -44.12 97.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 87' ' ' GLN . 54.8 mt -76.63 -58.84 3.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' LEU . 50.6 mtp180 -36.43 -52.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -39.03 -45.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 27' ' ' PRO . 25.7 t -60.19 137.31 91.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 26' ' ' VAL . 54.0 Cg_endo -69.76 11.88 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.449 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 12.0 p -114.94 -25.99 7.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -93.4 -30.1 15.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 16.2 ptpt -71.18 0.55 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 m -132.3 133.93 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 34' ' ' ASP . 46.9 t -50.07 127.56 16.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.3 -33.08 72.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.529 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 4.0 m-20 -65.03 -72.14 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.6 p -96.85 -55.39 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 32' ' ' CYS . . . 130.36 19.65 1.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.553 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.78 128.34 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -66.21 142.52 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 48.8 t30 63.44 53.77 1.67 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.578 0.704 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.76 80.78 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.397 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 p -44.59 -65.81 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -51.85 149.0 5.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.69 122.29 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.4 t -85.82 120.1 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.797 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.543 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 15.8 mt -72.84 -39.45 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 13.5 m -47.19 -54.9 9.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.669 ' O ' HG13 ' A' ' 49' ' ' VAL . 52.4 m-85 -96.42 10.94 36.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 41.34 50.6 4.57 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 47' ' ' TYR . 17.2 m -135.92 160.14 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -91.36 143.54 26.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 84.2 mt -135.27 160.69 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.2 p -107.66 149.0 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.8 tp -32.96 -37.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' CYS . 31.4 t0 -66.58 -69.42 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 34' ' ' ASP . 77.2 m -55.87 -56.14 24.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' CYS . 79.1 p -32.74 -43.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.68 -49.87 45.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' CYS . 55.5 p -50.43 -43.25 54.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.827 ' HB3' HD11 ' A' ' 69' ' ' ILE . 22.8 m-70 -70.02 -44.4 69.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -47.76 -37.45 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.6 m -75.23 -44.77 44.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD13 HD22 ' A' ' 66' ' ' LEU . 86.7 mt -40.52 -48.96 2.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 129.25 126.09 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.481 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.6 m -38.5 -30.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.459 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 33.8 p-80 -72.46 -42.71 64.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.674 HD22 HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -71.08 -43.67 67.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -159.92 105.19 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -78.19 132.21 37.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.827 HD11 ' HB3' ' A' ' 59' ' ' HIS . 3.6 mm -108.18 148.67 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.213 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.538 ' HD3' HD11 ' A' ' 45' ' ' ILE . 16.3 mtp180 -162.47 127.85 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -70.07 166.74 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.595 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 64.4 p -107.02 -37.15 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -85.26 -58.48 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.68 -57.98 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -77.9 109.38 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 m -119.89 37.06 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -122.42 35.35 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.543 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 12.5 m95 -67.2 162.52 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 80' ' ' TRP . 3.2 m -107.99 133.06 52.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.553 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 75.0 m95 -30.66 -51.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -62.03 -55.98 23.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.528 ' HG2' HG21 ' A' ' 45' ' ' ILE . 76.8 mt-30 -53.51 -34.25 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.069 HD21 HG23 ' A' ' 16' ' ' ILE . 25.6 mt -63.49 -56.0 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.8 mmt-85 -59.11 -34.54 72.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 128' ' ' ALA . 86.0 m -49.66 -34.71 19.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.8 mmm -73.05 -35.3 66.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.598 ' HA ' HD21 ' A' ' 23' ' ' LEU . 36.9 mt-30 -74.85 -60.45 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.487 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 27.6 m -44.63 -30.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -101.37 -106.13 2.89 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.15 175.04 18.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 28' ' ' THR . 3.8 m-20 -72.12 -54.28 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -55.84 -50.55 70.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' ALA . 4.4 m -35.75 -52.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -71.5 -54.49 10.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.3 t -35.1 -41.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 97' ' ' PHE . 8.1 t -89.24 -54.1 4.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 96' ' ' SER . 34.5 t80 -36.01 -58.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -42.16 -48.94 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' GLN . 7.2 t60 -61.38 -56.02 24.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' HIS . 0.4 OUTLIER -34.16 -51.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -70.36 -53.6 15.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.37 52.23 0.19 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.4 t -130.94 87.63 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.0 t -98.31 44.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 99.3 m -87.14 140.79 29.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 107' ' ' ASP . 12.4 m120 -91.35 -51.1 5.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.549 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 14.2 m-20 -33.71 134.9 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.9 m -76.78 -40.2 49.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 18.7 t-20 -75.12 -4.27 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' A' ' 107' ' ' ASP . . . -116.71 -58.66 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -43.2 -40.12 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.642 ' CE2' ' NE2' ' A' ' 59' ' ' HIS . 24.7 m-85 -86.89 -29.87 21.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 15.0 m-80 -85.11 20.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.9 p -101.93 172.61 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -65.84 -54.91 20.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.33 -46.71 25.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.84 72.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -55.57 -59.81 4.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.0 mt -37.72 -39.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.505 ' CE1' HD11 ' A' ' 124' ' ' ILE . 39.5 t80 -62.06 -65.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 10.2 mtm105 -35.84 -61.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -47.2 -51.63 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -52.19 -50.19 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 120' ' ' TYR . 33.4 mm -49.46 -35.54 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -70.74 -38.31 73.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -65.27 -53.1 49.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.487 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 15.3 mt -62.58 -53.55 53.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.43 ' CB ' ' SG ' ' A' ' 85' ' ' CYS . . . -43.1 -41.11 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 m -57.34 -39.73 76.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.783 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -57.64 -73.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.55 -39.89 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 60.7 m -67.18 -72.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -38.06 -53.85 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -38.82 -61.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 140' ' ' TRP . 56.3 m-70 -124.43 85.91 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.15 -87.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.499 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 74.2 p -104.9 42.35 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 111.199 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -138.94 155.18 48.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.648 HD12 HD21 ' A' ' 141' ' ' LEU . 3.6 mm? -88.07 97.0 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.523 ' CE3' HD23 ' A' ' 141' ' ' LEU . 5.9 p90 -38.33 -37.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.702 ' H ' HD23 ' A' ' 141' ' ' LEU . 0.5 OUTLIER -68.04 -40.21 82.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 139' ' ' LEU . 11.0 t70 -178.0 112.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 43.4 t -67.34 96.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.0 m -86.42 45.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.811 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -168.96 176.07 43.22 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -179.04 2.65 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 63.9 p -91.05 101.32 14.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.5 m -118.51 104.0 10.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.485 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -45.6 158.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.914 0.388 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -158.81 145.49 17.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.79 105.68 3.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.3 p -150.65 108.5 3.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -104.22 105.34 15.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.48 125.63 3.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.5 ttt -130.65 105.3 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.27 112.25 4.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -40.29 156.27 0.18 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.589 0.709 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 80' ' ' TRP . 53.4 Cg_endo -69.71 128.92 16.77 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -77.24 172.45 13.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HE3' HD21 ' A' ' 17' ' ' LEU . 46.5 tptt -48.82 -63.04 1.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 17' ' ' LEU . 7.0 tm0? -40.81 -54.42 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -52.84 -52.8 55.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.763 HG23 HD21 ' A' ' 83' ' ' LEU . 69.0 mt -55.12 -43.23 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.482 HD21 ' HE3' ' A' ' 13' ' ' LYS . 82.1 mt -52.21 -36.85 53.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' ILE . 52.5 m -64.63 -68.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.465 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 2.4 mp -33.5 -36.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' CZ ' HG22 ' A' ' 72' ' ' THR . 26.3 m-85 -82.87 -58.98 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' PHE . 6.6 ptmt -35.59 -37.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -63.08 -44.77 94.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 87' ' ' GLN . 17.0 mt -77.67 -43.05 32.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' SER . 36.1 mtp180 -45.75 -53.93 8.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' ARG . 26.1 m -36.1 -50.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 28' ' ' THR . 3.4 t -52.05 131.27 40.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HA ' ' HG2' ' A' ' 30' ' ' LYS . 53.7 Cg_endo -69.73 -14.3 35.97 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.553 ' H ' HG12 ' A' ' 26' ' ' VAL . 32.6 p -96.58 -13.26 23.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -102.41 -27.8 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 27' ' ' PRO . 15.7 ptpt -76.75 10.19 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 17.0 m -134.07 132.92 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 34' ' ' ASP . 6.4 t -48.81 101.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -39.32 -32.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 5.5 t0 -63.39 -71.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.7 p -98.6 -49.03 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.4 17.34 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.26 122.01 12.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -64.41 141.79 58.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.507 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.8 m-20 63.96 50.39 1.08 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.0 Cg_endo -69.77 79.57 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 p -39.49 -59.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.479 ' CD1' ' HA ' ' A' ' 53' ' ' ILE . 79.6 m95 -56.3 142.95 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.11 126.8 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.045 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -90.97 114.45 26.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.567 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 11.9 mt -67.68 -46.52 82.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m -38.36 -63.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.537 ' O ' HG13 ' A' ' 49' ' ' VAL . 82.2 m-85 -92.53 10.04 31.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 44.11 46.59 8.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 47' ' ' TYR . 13.8 m -124.01 173.18 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -107.08 139.68 41.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.4 mt -135.95 167.62 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.4 p -106.33 171.07 7.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.4 tp -52.83 -40.3 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' N ' HG23 ' A' ' 53' ' ' ILE . 76.6 m-20 -67.16 -75.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' SER . 72.0 m -43.8 -57.5 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 92.2 p -33.43 -36.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . -57.4 -48.35 81.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -50.71 -42.67 57.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.768 ' HB3' HD11 ' A' ' 69' ' ' ILE . 25.6 m-70 -67.81 -45.24 75.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -56.44 -30.9 63.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.1 t -68.97 -49.12 60.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 59' ' ' HIS . 11.9 mt -48.76 -51.68 27.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 139.53 128.92 2.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.562 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.3 m -44.39 -24.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.554 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 25.5 p-80 -70.91 -40.54 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -73.79 -49.99 22.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -147.06 105.11 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -75.62 132.54 40.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.768 HD11 ' HB3' ' A' ' 59' ' ' HIS . 2.8 mm -109.91 135.99 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -148.08 136.35 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 t -79.84 166.2 21.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.52 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 51.6 p -109.12 -31.16 7.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -92.64 -56.27 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.72 -53.48 32.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.06 125.3 29.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.96 32.82 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -120.98 36.9 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.567 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 13.1 m95 -73.9 142.35 45.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.86 149.62 21.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.571 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 49.8 m95 -47.02 -39.28 12.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -67.31 -58.2 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -54.58 -31.75 57.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.763 HD21 HG23 ' A' ' 16' ' ' ILE . 22.9 mt -63.35 -62.05 1.94 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' HE ' ' HB1' ' A' ' 131' ' ' ALA . 31.5 mmt-85 -52.02 -40.22 60.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 95.8 m -42.83 -40.68 2.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 80.7 mmm -68.07 -38.26 82.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.796 ' HA ' HD21 ' A' ' 23' ' ' LEU . 14.9 mm-40 -68.86 -59.05 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 24.2 m -54.89 -13.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -110.65 -140.59 8.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 138.89 154.11 6.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 1.6 m-20 -52.97 -60.23 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -49.12 -55.93 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 92' ' ' ALA . 2.6 m -32.12 -59.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.811 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' SER . . . -68.37 -48.74 63.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 94' ' ' ALA . 13.2 t -36.71 -32.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' ALA . 99.7 p -105.03 -53.7 2.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 96' ' ' SER . 12.4 t80 -35.57 -37.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -67.81 -55.29 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -64.97 -55.33 19.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.432 ' CD ' ' HA ' ' A' ' 97' ' ' PHE . 2.9 pt20 -42.95 -41.15 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -69.77 -61.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.76 52.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.2 t -157.78 114.4 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.0 p -120.64 45.32 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.3 m -81.74 132.62 35.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -89.08 -33.78 17.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.63 175.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.9 m -113.31 -46.0 3.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.484 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 16.5 t-20 -73.51 -5.13 38.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.36 -53.26 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -51.61 -42.77 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CZ ' ' CE1' ' A' ' 59' ' ' HIS . 53.3 m-85 -80.8 -24.96 38.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 14.9 m-80 -89.17 20.8 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.9 p -104.04 165.14 11.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -60.67 -50.77 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.94 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.93 -52.78 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -54.24 -57.82 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.5 mt -40.59 -43.97 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.555 ' CE1' HD11 ' A' ' 124' ' ' ILE . 28.0 t80 -57.93 -60.65 3.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 120' ' ' TYR . 27.1 mtm180 -38.38 -62.78 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -47.42 -52.12 17.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -46.38 -52.37 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.555 HD11 ' CE1' ' A' ' 120' ' ' TYR . 26.9 mm -49.91 -40.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.6 -46.33 90.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.3 t -59.48 -65.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 26.3 mt -49.56 -55.07 14.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.39 -44.84 5.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.8 t -59.13 -32.82 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 127' ' ' LEU . 44.3 mm-40 -62.2 -43.61 98.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.444 ' HB1' ' HE ' ' A' ' 84' ' ' ARG . . . -79.18 -34.17 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 67.1 m -68.58 -49.7 57.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 134' ' ' LYS . 0.5 OUTLIER -65.34 -36.43 83.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 133' ' ' ARG . 26.7 ttmt -37.07 -59.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -126.35 -44.27 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 80' ' ' TRP . . . 93.01 -51.42 2.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.438 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.468 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 17.5 p -118.25 -39.82 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 111.106 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.1 135.47 39.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 141' ' ' LEU . 25.0 mt -72.96 97.61 2.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.46 ' C ' ' O ' ' A' ' 139' ' ' LEU . 5.8 p90 -33.18 -36.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 139' ' ' LEU . 7.9 mt -36.57 -54.78 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.45 172.74 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.8 m -94.81 144.94 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.5 p -168.28 146.41 4.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -151.7 -84.12 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.559 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 3.09 2.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.74 2.294 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 21.6 t -102.98 149.1 24.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 21.1 p -110.74 136.92 49.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.223 -0.765 . . . . 0.0 112.511 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -109.6 103.8 12.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.93 0.395 . . . . 0.0 110.927 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -71.53 110.31 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.03 172.54 38.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -152.01 170.71 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -154.14 117.82 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.97 118.12 4.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.484 ' O ' ' CG2' ' A' ' 137' ' ' THR . 7.7 mtm -119.08 -57.1 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.807 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.98 -159.5 24.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.17 120.39 26.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 110.835 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.449 ' HB3' ' CZ2' ' A' ' 80' ' ' TRP . 53.4 Cg_endo -69.83 133.71 26.11 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.646 2.23 . . . . 0.0 112.28 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' LYS . 55.3 m -73.82 159.32 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' SER . 24.0 ttpt -37.0 -54.96 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -48.7 -58.43 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.12 -49.84 50.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.978 HG23 HD21 ' A' ' 83' ' ' LEU . 69.0 mt -57.26 -47.42 84.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.7 mt -48.96 -65.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' ILE . 9.0 m -38.9 -69.76 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.577 HD12 HD13 ' A' ' 83' ' ' LEU . 98.5 mt -33.79 -37.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.602 ' CZ ' HG22 ' A' ' 72' ' ' THR . 10.3 m-85 -80.48 -55.5 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -40.08 -35.18 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -65.62 -40.83 93.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 87' ' ' GLN . 22.0 mt -83.83 -52.83 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -48.13 -42.97 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -43.81 -46.1 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 13.7 t -51.91 135.27 37.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.694 0.759 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 54.1 Cg_endo -69.79 10.91 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.44 ' O ' ' ND2' ' A' ' 91' ' ' ASN . 72.3 p -120.82 -17.22 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.5 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 97.3 m-20 -99.85 -21.67 15.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -81.86 12.06 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.4 m -138.83 119.56 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 36' ' ' GLY . 8.0 t -36.02 103.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.539 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -41.68 -32.64 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.29 -72.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.1 p -98.13 -48.81 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' CYS . . . 126.97 12.25 3.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.52 115.07 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -60.1 142.39 54.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.457 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 9.5 m120 62.78 53.66 1.94 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 39' ' ' ASN . 54.1 Cg_endo -69.7 82.49 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.9 p -45.37 -36.25 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CD1' ' N ' ' A' ' 53' ' ' ILE . 91.3 m95 -81.91 147.88 29.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.39 128.46 10.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -91.72 112.77 24.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.588 HG12 ' CZ3' ' A' ' 78' ' ' TRP . 9.6 mt -65.45 -44.83 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.453 ' CG2' ' HD2' ' A' ' 121' ' ' ARG . 1.8 m -41.63 -61.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.767 ' O ' HG13 ' A' ' 49' ' ' VAL . 78.6 m-85 -93.05 15.33 15.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.93 48.41 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.428 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 47' ' ' TYR . 21.6 m -129.78 166.05 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 65.7 m-85 -97.85 145.4 26.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 44.8 mt -139.39 170.55 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' ILE . 31.0 p -116.44 150.99 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 42' ' ' TRP . 3.0 tp -35.09 -37.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.78 -72.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 56' ' ' SER . 79.1 m -52.4 -56.25 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 55' ' ' CYS . 38.2 p -30.58 -42.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.495 ' HA2' ' NE ' ' A' ' 60' ' ' ARG . . . -53.05 -49.84 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' CYS . 69.0 p -48.7 -38.95 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.488 ' HB3' HD11 ' A' ' 69' ' ' ILE . 24.0 m-70 -76.63 -41.13 47.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.495 ' NE ' ' HA2' ' A' ' 57' ' ' GLY . 31.0 mtm180 -49.64 -37.09 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 t -73.73 -43.11 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.747 HD13 HD22 ' A' ' 66' ' ' LEU . 96.5 mt -44.34 -36.49 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LEU . . . 115.69 130.36 4.69 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.425 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.9 m -41.68 -29.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.19 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.411 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 31.1 p-80 -74.11 -38.84 63.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.747 HD22 HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -74.1 -44.58 53.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -160.37 105.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -76.72 139.61 40.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 59' ' ' HIS . 1.5 mm -113.23 140.21 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 78' ' ' TRP . 11.2 mmm180 -150.75 141.54 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 t -90.09 152.7 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.602 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 76.9 p -90.65 -43.27 10.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -87.65 -65.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.74 -36.51 47.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -108.2 122.05 46.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.8 m -129.49 32.75 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.02 26.35 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.588 ' CZ3' HG12 ' A' ' 45' ' ' ILE . 11.8 m95 -59.71 159.09 9.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 80' ' ' TRP . 1.6 p -105.61 135.66 46.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.818 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.521 ' CE2' ' HA ' ' A' ' 137' ' ' THR . 65.7 m95 -31.31 -42.76 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' SER . 32.2 t80 -65.13 -67.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -49.83 -27.24 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.978 HD21 HG23 ' A' ' 16' ' ' ILE . 7.9 mt -66.51 -63.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 131' ' ' ALA . 25.2 mmt-85 -53.31 -34.31 56.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.471 ' HA ' HG22 ' A' ' 88' ' ' VAL . 92.7 m -42.51 -48.98 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 77.4 mmm -58.84 -34.06 71.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.677 ' HA ' HD21 ' A' ' 23' ' ' LEU . 31.4 mt-30 -72.6 -43.15 63.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.481 ' HB ' ' CB ' ' A' ' 127' ' ' LEU . 10.5 m -81.36 21.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.15 -86.03 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.84 161.2 35.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 28' ' ' THR . 22.0 m-20 -75.36 -64.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 93' ' ' SER . . . -49.05 -51.36 31.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' ALA . 33.5 m -33.32 -54.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' SER . . . -66.78 -50.33 63.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' ALA . 7.6 t -36.1 -40.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' PHE . 17.8 m -92.8 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' SER . 5.2 t80 -36.17 -43.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' HE2' ' HB2' ' A' ' 117' ' ' ALA . 16.9 m-85 -62.92 -60.77 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -51.53 -51.92 51.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -41.5 -48.08 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.474 ' CD2' ' HB2' ' A' ' 116' ' ' ALA . 60.7 t60 -67.84 -45.23 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.34 47.72 0.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.6 p -64.74 -42.85 94.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.1 t 40.4 44.17 1.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 106' ' ' ASN . 94.3 m -147.82 153.83 39.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 107' ' ' ASP . 8.8 m120 -115.75 -47.06 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 106' ' ' ASN . 31.5 m-20 -33.25 138.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.557 HG23 ' CD2' ' A' ' 112' ' ' TYR . 99.5 m -77.22 -39.98 46.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 22.1 t-20 -72.73 -6.62 45.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.37 -59.7 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -46.59 -37.43 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.557 ' CD2' HG23 ' A' ' 108' ' ' THR . 45.4 m-85 -85.62 -30.5 23.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 11.6 m-80 -86.63 25.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.1 p -110.74 166.51 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -57.77 -56.19 25.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 101' ' ' HIS . . . -43.41 -44.15 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.507 ' HB1' ' OH ' ' A' ' 47' ' ' TYR . . . -66.07 -50.74 63.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 119' ' ' LEU . 31.1 mt-30 -53.2 -61.42 2.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 118' ' ' GLN . 40.7 mt -35.98 -38.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.819 ' CE1' HD11 ' A' ' 124' ' ' ILE . 11.7 t80 -62.17 -61.18 2.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' HD2' ' CG2' ' A' ' 46' ' ' THR . 20.7 mtm180 -38.92 -66.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -46.25 -52.82 11.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -48.12 -55.84 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.819 HD11 ' CE1' ' A' ' 120' ' ' TYR . 39.2 mm -46.71 -40.43 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -59.1 -55.37 35.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 t -54.67 -58.12 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 130' ' ' GLN . 32.9 mt -55.92 -58.11 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' LEU . . . -37.32 -47.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 133' ' ' ARG . 19.4 t -58.57 -38.58 78.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' LEU . 2.0 pp0? -54.36 -34.44 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 130' ' ' GLN . . . -88.51 -30.77 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.5 m -83.86 -64.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.508 ' O ' ' C ' ' A' ' 134' ' ' LYS . 55.5 ttt-85 -46.35 -43.59 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.508 ' C ' ' O ' ' A' ' 133' ' ' ARG . 5.9 ttpp -29.43 -69.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.438 ' CG ' ' HB2' ' A' ' 138' ' ' ASP . 2.0 t-160 -123.1 -45.3 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.95 -103.71 2.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.521 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 43.7 p -62.43 -49.78 74.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.438 ' HB2' ' CG ' ' A' ' 135' ' ' HIS . 1.0 OUTLIER -60.29 150.33 30.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 140' ' ' TRP . 40.5 mt -91.65 105.2 17.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.476 ' C ' ' O ' ' A' ' 139' ' ' LEU . 11.3 p90 -32.22 -43.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.446 ' H ' HD12 ' A' ' 141' ' ' LEU . 4.8 mp -33.2 -50.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -144.93 153.36 41.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 46.7 t -74.59 104.83 5.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 24.7 p -171.17 139.89 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -129.81 148.36 18.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.444 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 161.22 46.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 97.4 p -95.05 -29.08 14.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.3 t -88.42 136.25 33.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.466 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_