data_2d9j_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 2d9j _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.751 0.31 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -42.49 96.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 14' ' ' ARG . 37.3 ttm180 -61.67 -47.95 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.544 HG21 ' CZ3' ' A' ' 15' ' ' TRP . 91.2 t -48.72 -55.71 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' GLY . 22.3 tptt -36.48 -46.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 42.1 mmt-85 -43.09 -46.9 5.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.544 ' CZ3' HG21 ' A' ' 12' ' ' VAL . 1.7 m0 -62.35 -29.8 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -71.04 4.33 10.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -97.22 -41.23 8.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 175.42 143.9 4.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' GLY . 38.2 ttp -35.11 -45.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' MET . 19.9 m-20 -36.02 -63.76 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.54 -51.72 68.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.09 -39.24 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD12 ' CH2' ' A' ' 48' ' ' TRP . 13.0 mt -68.67 -49.77 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -60.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -73.15 144.96 85.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.64 -39.72 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.68 -31.03 79.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 42.6 mtt180 -66.55 -48.89 68.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 15.2 pt-20 -72.12 -44.68 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 81.5 mm-40 -52.58 -59.86 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 17.0 t80 -54.97 -37.85 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.4 tp -61.86 -53.92 49.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' LEU . 52.9 mttt -35.13 -59.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -49.98 -42.03 48.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' HB3' ' N ' ' A' ' 42' ' ' SER . 57.8 mt -55.16 -62.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -39.04 -46.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.9 t -54.15 -48.34 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -85.11 12.64 7.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 52.13 39.58 26.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' SER . 51.1 m -114.15 -24.37 9.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.471 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 94.8 p -35.26 -42.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' SER . 7.1 pt-20 -33.79 -46.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.03 -55.38 31.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 46' ' ' ARG . 48.5 tp -64.64 -58.89 5.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' LEU . 16.5 mtp180 -35.54 -48.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.51 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 8.6 t80 -62.43 -49.51 75.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.563 ' CH2' HD12 ' A' ' 23' ' ' LEU . 7.5 t90 -49.13 -62.53 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.7 mt -49.19 -50.44 37.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.47 -39.88 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.436 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 99.4 t -67.69 -58.21 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -45.32 -41.27 8.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -79.95 -40.97 26.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' ASP . 66.8 tp -33.38 -63.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.16 -45.21 43.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 53' ' ' ASP . 7.2 mmpt? -51.44 -43.03 61.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mmp_? -52.36 150.45 8.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 166.84 26.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.228 . . . . 0.0 112.371 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 tp -56.24 -31.3 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -70.6 -32.94 70.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -108.27 9.91 27.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -75.84 -58.74 1.29 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.72 -51.36 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.4 m -44.99 -37.18 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.4 tpt180 -77.52 -45.03 26.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' ARG . 27.2 t -33.25 -67.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 24.0 pt20 -56.71 -47.28 80.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.42 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 59.8 mm-40 -48.93 -62.25 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.7 mt -49.76 -40.57 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.575 ' CE3' HG22 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -73.34 -20.68 60.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.513 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 29.9 mt-30 -93.12 -1.81 56.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 4.7 tp10 -97.49 -47.64 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -117.98 -38.04 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 70' ' ' TRP . 35.6 mt -83.32 18.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.513 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -117.13 150.09 45.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.578 0.704 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -52.64 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.74 48.71 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.419 ' O ' ' HB1' ' A' ' 81' ' ' ALA . . . -119.12 156.11 52.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -52.08 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.543 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 7.6 m -86.57 18.01 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -44.77 106.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 80' ' ' SER . 20.4 pt -89.55 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -132.23 131.0 41.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mt -129.87 157.59 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.25 168.42 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.3 t -68.11 -57.67 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -53.36 -43.78 68.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.8 p -69.16 -59.04 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -48.87 -47.44 42.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.07 -50.74 66.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -56.18 -46.3 79.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.0 m -59.16 -62.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.1 m -40.64 -40.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -70.22 -44.52 68.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -60.65 -43.33 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.575 HG22 ' CE3' ' A' ' 70' ' ' TRP . 92.1 t -43.01 -44.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 96' ' ' VAL . 2.4 mptm? -32.26 -49.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -111.01 112.05 55.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 134.29 27.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.16 -138.46 2.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -117.43 -35.75 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -110.84 17.91 20.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.963 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.9 m -56.67 -39.8 74.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -100.16 17.98 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -56.77 -45.72 81.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -52.93 -63.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.95 -48.07 32.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.552 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 30.3 tt0 -44.88 -38.14 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.485 ' HG3' ' CD ' ' A' ' 113' ' ' LYS . 14.5 tt0 -68.25 -57.34 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -47.51 -60.91 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.47 HG23 ' CE ' ' A' ' 115' ' ' MET . 42.8 mm -54.52 -54.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 2.0 t80 -49.01 -50.96 33.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.485 ' CD ' ' HG3' ' A' ' 109' ' ' GLU . 26.2 mtpt -61.3 -16.56 47.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.496 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 1.9 tp -92.91 -68.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.47 ' CE ' HG23 ' A' ' 111' ' ' ILE . 48.2 mtm -42.5 -39.08 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.537 ' HG3' ' N ' ' A' ' 117' ' ' SER . 5.1 ptmm? -47.73 -49.73 27.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.537 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 2.8 m -117.76 17.13 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.496 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -102.1 -61.47 1.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.568 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 14.7 m -97.04 -53.32 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.526 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 2.8 t80 -34.56 -49.86 0.99 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.692 0.758 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.568 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.4 Cg_exo -47.94 -55.67 3.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 125' ' ' ARG . 94.8 mtt-85 -54.37 -47.16 72.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 4.1 t80 -40.27 -44.23 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.431 HD12 ' CZ ' ' A' ' 120' ' ' TYR . 5.3 mp -68.75 -37.52 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 122' ' ' ARG . 15.7 mmm180 -64.33 -47.9 77.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t -64.94 176.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.1 t -96.65 -31.06 12.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -36.68 -44.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.57 ' CE1' HD12 ' A' ' 133' ' ' LEU . 0.8 OUTLIER -67.88 -47.62 68.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -56.56 -38.98 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -38.94 -59.83 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.449 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . 2.0 mm? -48.37 -56.19 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.57 HD12 ' CE1' ' A' ' 129' ' ' TYR . 24.8 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.784 0.326 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -67.13 -50.64 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -49.41 -46.06 47.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.0 t -48.79 -60.76 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -45.98 -34.86 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -46.86 -34.8 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.435 ' C ' ' H ' ' A' ' 17' ' ' PHE . 4.5 m0 -69.73 -28.49 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.65 28.33 1.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.435 ' H ' ' C ' ' A' ' 15' ' ' TRP . 14.9 m-85 -116.59 16.3 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 117.11 138.38 6.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' GLY . 18.5 ttp -34.2 -47.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' MET . 7.8 p-10 -37.29 -53.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.78 -63.04 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.24 -51.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' LYS . 36.2 mt -54.74 -56.21 21.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' LEU . 21.7 mttm -38.11 -58.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.94 143.96 87.24 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.274 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.77 -50.2 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.86 -29.52 42.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.515 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -67.55 -49.68 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.7 pt-20 -71.64 -44.52 64.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 85.1 mm-40 -57.11 -59.58 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 24.2 t80 -52.95 -35.17 58.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.8 tp -64.42 -54.05 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . 60.7 mttt -34.52 -55.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -54.96 -50.54 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD23 ' CZ ' ' A' ' 32' ' ' PHE . 40.9 mt -43.05 -54.61 4.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -43.65 -44.29 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.2 t -57.08 -47.28 81.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -84.87 10.61 11.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 52.65 39.49 28.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' SER . 78.1 p -113.67 -21.2 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.476 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 76.1 p -37.21 -46.28 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 44' ' ' ASN . 9.3 pt-20 -39.97 -45.5 1.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 11.5 m-20 -53.28 -48.51 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' ARG . 17.4 tp -72.91 -52.8 13.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' LEU . 25.7 mmt180 -36.52 -48.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.511 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 3.0 t80 -64.08 -49.39 72.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 50.1 t90 -47.45 -60.6 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.5 mt -53.65 -44.69 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.41 -43.73 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.439 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 91.8 t -65.76 -47.53 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 6.3 mm-40 -50.66 -41.36 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' LYS . 7.1 m-20 -79.76 -40.78 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' ASP . 54.6 tp -35.67 -61.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.49 -41.3 40.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ASP . 7.4 mmpt? -60.43 -40.37 90.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 6.5 mmp_? -52.91 149.25 12.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 163.27 38.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 60' ' ' LYS . 7.2 tp -55.85 -29.73 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.437 ' N ' HG22 ' A' ' 59' ' ' ILE . 7.7 ptpt -68.28 -31.4 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -113.85 11.62 17.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.497 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.0 t -74.73 -58.79 1.62 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.78 -52.72 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.2 m -43.31 -35.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' VAL . 17.0 mmt-85 -78.96 -39.4 34.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ARG . 53.7 t -33.08 -68.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.5 pt20 -58.27 -48.55 80.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 54.2 mm-40 -44.18 -62.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.0 mt -48.43 -44.19 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -72.34 -20.55 61.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.489 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 35.1 mt-30 -92.09 -3.94 55.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.511 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 3.0 tp10 -96.44 -47.16 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.4 OUTLIER -118.0 -39.42 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' TRP . 16.9 mt -82.19 18.05 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -114.69 151.52 45.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.542 0.687 . . . . 0.0 111.106 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -53.15 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.56 50.82 2.65 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.17 156.56 50.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -52.84 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.554 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 8.9 m -87.5 17.86 4.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.21 103.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 80' ' ' SER . 6.3 pt -91.71 -178.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -130.2 141.7 50.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 mt -133.26 175.48 9.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -76.52 166.75 22.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 p -67.88 -41.23 83.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -65.65 -41.11 92.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.1 p -75.74 -55.55 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -48.39 -54.24 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.82 -42.19 62.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -64.76 -57.96 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.6 m -53.77 -61.54 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.45 HG22 ' CH2' ' A' ' 70' ' ' TRP . 6.0 m -39.26 -44.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -70.45 -49.85 44.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -52.87 -47.7 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 97' ' ' LYS . 88.4 t -37.99 -43.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 96' ' ' VAL . 39.2 mmtt -36.28 -44.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -102.69 116.61 62.41 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.613 0.721 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 113.2 3.3 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.36 -165.26 10.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -97.91 -53.08 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -88.54 17.64 5.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.1 m -54.36 -48.59 71.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -93.85 16.58 13.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -54.8 -49.35 71.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -60.4 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.78 -43.95 48.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.454 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 52.1 tt0 -52.28 -36.25 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.88 -43.4 62.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -54.5 -57.69 10.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.22 -41.66 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -54.29 -59.13 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 42.7 mtmt -54.4 -17.13 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.3 tp -91.57 -67.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.7 mtm -44.92 -37.94 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 117' ' ' SER . 10.2 ptmm? -51.39 -47.97 62.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.523 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 7.1 m -116.89 15.63 15.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' LEU . 0.9 OUTLIER -105.3 -60.2 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.599 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 2.7 m -95.54 -54.36 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.548 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 0.7 OUTLIER -35.83 -48.41 1.42 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.697 0.76 . . . . 0.0 110.936 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.599 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.0 Cg_exo -48.0 -62.12 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.366 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -58.06 -48.47 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 43.7 t80 -40.68 -43.03 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.58 -40.92 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -58.8 -49.65 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.5 t -54.44 168.55 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 1.9 t -90.88 -36.04 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -35.84 -40.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.494 ' CE1' HD12 ' A' ' 133' ' ' LEU . 2.8 t80 -70.72 -52.41 21.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 131' ' ' GLU . 29.9 mm-40 -53.54 -33.76 55.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 62.8 mm-40 -36.59 -65.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.36 -51.47 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.494 HD12 ' CE1' ' A' ' 129' ' ' TYR . 56.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' CD ' ' O ' ' A' ' 133' ' ' LEU . 49.1 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.748 0.308 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.57 -44.77 70.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -62.52 -42.54 99.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.533 HG13 ' CE3' ' A' ' 15' ' ' TRP . 87.0 t -53.88 -39.25 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ARG . 29.2 tptt -55.95 -51.55 67.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LYS . 9.0 mmt-85 -37.23 -37.88 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.533 ' CE3' HG13 ' A' ' 12' ' ' VAL . 6.6 m0 -62.79 -51.32 67.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 18' ' ' GLY . . . -40.21 -23.07 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' TRP . 94.1 m-85 -76.28 12.4 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.898 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.509 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 115.45 159.78 12.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.577 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 6.8 ttp -54.89 -37.69 66.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -36.72 -48.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.25 -52.08 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.15 -55.26 8.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD11 ' CH2' ' A' ' 48' ' ' TRP . 47.9 mt -49.12 -48.36 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -52.46 -45.92 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 2.8 t70 -83.46 142.71 43.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.8 Cg_endo -69.76 -46.55 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 0.0 112.392 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.14 -48.15 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.98 -28.3 60.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -69.1 -48.89 61.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 8.2 pt-20 -69.67 -42.66 73.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 94.3 mm-40 -55.73 -56.72 17.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' CE2' HD22 ' A' ' 36' ' ' LEU . 26.1 t80 -55.1 -33.37 62.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.4 tp -67.13 -51.36 54.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 65.6 mttt -34.87 -60.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -54.74 -52.4 62.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.581 HD22 ' CE2' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -45.12 -55.09 6.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -51.9 -34.99 43.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 t -64.25 -49.62 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -84.11 13.07 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 53.73 43.46 31.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 p -114.53 -18.76 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.9 p -39.86 -37.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 80' ' ' SER . 6.6 pt-20 -38.89 -40.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' C ' ' SD ' ' A' ' 115' ' ' MET . 3.3 m-20 -66.08 -53.08 42.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' N ' ' SD ' ' A' ' 115' ' ' MET . 52.4 tp -67.49 -60.41 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LEU . 49.7 mtt180 -34.93 -42.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.444 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 23.1 t80 -68.69 -47.88 65.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.534 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 40.5 t90 -48.35 -57.76 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.3 mt -57.54 -45.94 84.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.91 -44.62 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.458 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 76.6 t -71.3 -51.8 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 37.2 mm-40 -41.23 -42.93 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 56' ' ' LYS . 30.1 t70 -81.06 -39.57 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 62.2 tp -33.6 -59.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -42.76 58.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 53' ' ' ASP . 26.5 mmtt -60.27 -40.44 90.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -52.0 146.36 15.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 165.07 32.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 tp -54.03 -29.21 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -33.83 72.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -110.37 12.22 23.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.478 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -77.15 -59.63 0.87 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.624 0.726 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.0 Cg_endo -69.79 -54.08 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 p -43.94 -35.19 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.472 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 2.9 tpt180 -76.74 -42.92 39.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' ARG . 42.8 t -34.42 -62.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 19.9 pt20 -63.4 -50.19 70.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' GLN . 31.9 mm-40 -40.08 -68.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -44.41 -47.5 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.514 ' CE3' ' CB ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.23 -24.14 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.549 ' C ' ' HB3' ' A' ' 75' ' ' ALA . 21.9 mt-30 -81.78 -8.56 59.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 26.9 tt0 -106.36 -51.03 3.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.592 ' C ' ' H ' ' A' ' 75' ' ' ALA . 10.0 m-85 -98.07 -65.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 104' ' ' PHE . 26.7 mt -67.86 18.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.592 ' H ' ' C ' ' A' ' 73' ' ' PHE . . . -115.23 141.61 27.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.131 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.64 52.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.23 . . . . 0.0 112.374 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.88 14.97 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' GLU . . . -81.66 158.43 68.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.7 -47.16 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.286 . . . . 0.0 112.342 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.2 m -100.31 17.97 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -48.82 117.64 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' CD1' HD12 ' A' ' 111' ' ' ILE . 15.0 pt -103.09 179.63 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -125.05 135.06 52.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.2 mt -122.51 176.11 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 8.8 t0 -72.62 164.58 26.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 m -62.52 -39.87 94.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.6 OUTLIER -76.83 -46.21 25.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 31.6 m -61.18 -58.72 7.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -51.67 -56.63 12.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -52.04 -53.86 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -56.48 -40.26 74.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' ASN . 99.4 m -66.02 -63.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' THR . 20.3 m -34.95 -44.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -72.01 -44.84 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.5 m-20 -58.46 -39.39 79.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.6 t -40.94 -55.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -34.86 -36.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' VAL . 12.4 mt-10 -96.04 105.13 19.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.657 0.741 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.4 Cg_endo -69.76 116.65 4.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.0 -151.32 5.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -114.28 -36.13 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -106.07 18.03 22.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.3 m -56.06 -42.08 76.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 74' ' ' LEU . 81.1 m-85 -97.74 17.4 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -50.05 -56.97 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -49.03 -59.15 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -50.84 -52.9 36.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.534 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 40.3 tt0 -48.89 -38.64 23.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -73.92 -42.8 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 45.0 t60 -58.11 -44.77 87.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.457 HG22 ' CE ' ' A' ' 115' ' ' MET . 48.2 mm -66.84 -44.79 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.0 t80 -53.63 -52.03 61.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.463 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 44.4 mtmt -61.99 -14.2 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.45 HD13 ' CG ' ' A' ' 118' ' ' ASP . 0.6 OUTLIER -92.27 -68.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.461 ' SD ' ' N ' ' A' ' 45' ' ' LEU . 44.8 mtm -47.86 -34.28 8.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -53.85 -46.09 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.5 t -111.59 14.77 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.45 ' CG ' HD13 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -107.04 -62.83 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.497 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 23.8 m -92.05 -52.12 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.1 t80 -37.58 -49.88 2.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.698 0.761 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 120' ' ' TYR . 63.8 Cg_exo -47.93 -65.47 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.64 2.227 . . . . 0.0 112.372 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' ARG . 60.9 mtm-85 -62.45 -51.94 65.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -37.9 -40.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.3 mt -70.51 -40.83 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 122' ' ' ARG . 10.3 mmt85 -58.34 -45.37 88.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 m -64.12 148.89 48.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 130' ' ' GLN . 75.6 m -60.0 -32.6 71.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.73 -38.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -76.01 -45.08 36.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 131' ' ' GLU . 48.3 mm-40 -60.5 -38.82 85.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 130' ' ' GLN . 14.5 mt-10 -35.69 -54.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.35 -51.21 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.454 ' O ' ' CD ' ' A' ' 9' ' ' GLN . 26.7 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.792 0.329 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -63.34 -43.87 96.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -59.15 -38.56 79.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.528 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 99.5 t -62.52 -55.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -43.75 -44.42 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.444 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 6.4 mmm180 -47.04 -43.42 19.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.528 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 11.3 m0 -54.36 -29.57 48.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.86 25.56 2.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.444 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 14.3 m-85 -117.72 16.27 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 118.8 143.45 7.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 20' ' ' ASP . 7.3 ttp -37.84 -43.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' MET . 25.1 m-20 -33.85 -59.18 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' ALA . 75.3 mm-40 -63.02 -60.77 2.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -35.29 -39.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.546 HD11 ' CH2' ' A' ' 48' ' ' TRP . 12.2 mt -76.28 -47.47 23.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.4 mttm -38.39 -63.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.47 147.85 90.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.724 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.325 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.38 -37.97 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.51 -28.14 71.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -68.35 -48.4 64.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.9 pt-20 -71.97 -45.61 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 54.3 mm-40 -53.77 -58.96 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.512 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 9.5 t80 -55.23 -34.81 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LYS . 3.3 tp -63.3 -54.2 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LEU . 63.5 mttt -37.05 -56.4 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -52.44 -50.16 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.512 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 52.5 mt -46.99 -58.13 4.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -42.23 -48.92 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -54.66 -44.01 72.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.56 13.56 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 52.35 39.2 26.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.8 m -112.22 -20.49 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -39.29 -44.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -39.15 -44.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -57.4 -56.17 25.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' TRP . 41.8 tp -60.65 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 45' ' ' LEU . 22.3 mtp85 -34.77 -49.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.515 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 30.1 t80 -63.25 -41.91 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.546 ' CH2' HD11 ' A' ' 23' ' ' LEU . 31.9 t90 -59.82 -56.15 25.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -58.78 -45.22 90.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.97 -42.41 17.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.449 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 92.9 t -66.1 -47.31 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.477 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 24.9 mm-40 -54.41 -49.51 69.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -71.72 -40.3 69.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -38.54 -43.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -60.93 -50.31 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -54.32 -39.42 67.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -52.16 145.9 17.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 160.31 50.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 tp -52.84 -30.26 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -67.05 -29.17 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -113.58 12.7 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.506 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -73.03 -58.54 2.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.72 -51.28 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 m -43.18 -36.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' VAL . 3.8 tpt180 -80.03 -47.44 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' ARG . 36.0 t -33.64 -64.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 5.8 pt20 -60.1 -47.93 83.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.431 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 54.9 mm-40 -46.36 -64.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.4 mt -46.22 -47.36 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.553 ' CE3' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -70.57 -22.63 62.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.542 ' C ' ' HB1' ' A' ' 75' ' ' ALA . 25.3 mt-30 -84.28 -7.27 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 4.0 tp10 -108.75 -49.61 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' C ' ' H ' ' A' ' 75' ' ' ALA . 13.3 m-85 -98.09 -66.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 84' ' ' LEU . 30.8 mt -69.04 18.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.573 ' H ' ' C ' ' A' ' 73' ' ' PHE . . . -115.53 139.84 25.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 161.3 46.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.324 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.32 15.37 1.12 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -84.94 158.43 58.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.711 . . . . 0.0 111.08 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -47.74 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.252 . . . . 0.0 112.275 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -98.14 17.96 17.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -51.26 122.67 8.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.068 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.4 pt -108.13 179.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -126.28 136.65 53.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 74' ' ' LEU . 20.5 mt -126.73 177.7 6.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.465 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 5.5 t0 -75.36 151.11 38.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.2 p -47.94 -36.85 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -72.71 -66.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -46.94 -53.62 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -52.93 -63.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -45.92 -52.98 10.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -56.18 -60.26 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 95' ' ' ASN . 93.4 m -48.11 -63.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' THR . 24.2 m -34.7 -43.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -74.07 -43.97 55.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 92' ' ' THR . 2.5 m-20 -59.33 -40.31 85.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.553 HG23 ' CE3' ' A' ' 70' ' ' TRP . 84.8 t -39.76 -58.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -33.85 -37.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 96' ' ' VAL . 11.1 mt-10 -94.24 106.37 22.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 114.38 3.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.97 -165.72 13.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -97.41 -50.0 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -88.22 17.78 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.8 m -53.22 -55.09 27.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -92.19 17.58 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -43.78 -43.62 6.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -65.56 -63.74 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.96 -46.6 16.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.477 ' NE2' ' HG2' ' A' ' 52' ' ' GLU . 50.4 tt0 -50.83 -41.33 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 17.6 tt0 -72.57 -47.21 49.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 75.5 t60 -48.12 -55.71 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.462 HG21 ' CE ' ' A' ' 115' ' ' MET . 46.0 mm -59.15 -41.13 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 4.7 t80 -55.25 -54.82 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.455 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 21.9 mtmt -56.95 -16.27 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 118' ' ' ASP . 0.9 OUTLIER -91.62 -72.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.462 ' CE ' HG21 ' A' ' 111' ' ' ILE . 32.8 mtm -45.02 -39.0 5.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -45.18 -47.63 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.491 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 3.0 m -117.61 16.83 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -104.89 -61.76 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.521 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 35.5 m -92.59 -54.08 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.521 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 3.1 t80 -34.07 -51.31 0.91 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.704 0.764 . . . . 0.0 110.952 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.521 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.1 Cg_exo -47.94 -56.54 3.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -52.23 -42.07 63.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -44.06 -41.52 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.505 HD12 ' CE1' ' A' ' 120' ' ' TYR . 4.7 mp -70.1 -36.23 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -68.27 -46.41 70.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 63.5 p -63.48 176.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 41.1 m -98.87 -32.31 11.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.82 -46.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.85 -46.87 80.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -59.62 -40.22 86.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -39.39 -55.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.74 -50.65 65.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.728 0.299 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.57 -44.53 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.487 ' NE ' ' OD1' ' A' ' 25' ' ' ASP . 41.5 ttt180 -59.88 -41.02 90.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG12 ' CE3' ' A' ' 15' ' ' TRP . 74.6 t -56.2 -56.83 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 14' ' ' ARG . 23.3 tptm -40.34 -56.42 2.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' LYS . 3.3 mmt180 -35.26 -37.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CE3' HG12 ' A' ' 12' ' ' VAL . 10.8 m0 -65.76 -56.38 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -33.39 -43.97 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -44.55 -48.3 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.487 ' C ' ' CE2' ' A' ' 120' ' ' TYR . . . 172.09 164.5 27.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.567 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 22.1 ttp -47.93 -52.15 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 19' ' ' MET . 33.7 t0 -32.04 -59.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 16.1 mp0 -56.88 -62.09 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -42.33 -51.47 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.581 HD11 ' CH2' ' A' ' 48' ' ' TRP . 87.3 mt -46.54 -55.91 6.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 6.3 mptp? -38.7 -53.2 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.487 ' OD1' ' NE ' ' A' ' 11' ' ' ARG . 18.6 t70 -80.25 142.21 54.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.637 0.732 . . . . 0.0 110.852 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.78 -46.83 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 98.4 t -62.81 -61.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -43.74 -28.59 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 18.0 mtm180 -68.49 -44.72 74.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 6.5 pt-20 -71.93 -38.07 69.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -56.43 -60.33 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CE1' HD21 ' A' ' 36' ' ' LEU . 7.3 t80 -53.1 -36.67 60.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.6 tp -62.62 -54.57 37.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 33.0 mttm -34.93 -59.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -48.8 -50.36 34.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 32' ' ' PHE . 44.3 mt -46.84 -58.69 3.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 42.6 mt-10 -35.73 -46.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.2 m -55.3 -53.49 55.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' CD ' ' HB2' ' A' ' 41' ' ' SER . 4.1 pt-20 -78.39 8.58 4.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 52.91 36.52 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.409 ' HB2' ' CD ' ' A' ' 39' ' ' GLU . 48.9 m -117.93 17.79 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.2 p -66.06 -33.34 75.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -42.15 -54.07 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -40.59 -59.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' TRP . 58.0 tp -68.56 -57.33 5.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LEU . 8.3 mtp180 -34.95 -42.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.534 ' CE1' ' CG2' ' A' ' 51' ' ' VAL . 2.6 t80 -70.84 -46.39 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.581 ' CH2' HD11 ' A' ' 23' ' ' LEU . 26.6 t90 -48.25 -61.15 2.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.6 -46.01 70.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.59 -43.16 46.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.534 ' CG2' ' CE1' ' A' ' 47' ' ' PHE . 72.8 t -65.98 -60.27 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' OE1' ' CZ3' ' A' ' 48' ' ' TRP . 6.6 mt-10 -36.5 -40.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 54' ' ' LEU . 40.5 m-20 -75.22 -41.24 58.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' VAL . 68.9 tp -33.15 -65.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -47.96 62.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -51.49 -39.72 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -56.03 152.59 20.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.821 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 163.43 38.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.54 HG21 ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -55.06 -30.87 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.54 ' N ' HG21 ' A' ' 59' ' ' ILE . 3.4 ptmm? -70.81 -31.51 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -107.57 11.16 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.501 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -74.65 -58.83 1.65 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.79 -49.71 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 m -47.37 -37.1 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' VAL . 22.0 mmm-85 -80.34 -44.35 19.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' ARG . 11.9 t -33.32 -63.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 25.4 pt20 -58.79 -51.22 70.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 6.0 mm-40 -45.08 -65.77 0.49 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.1 mt -47.39 -43.97 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -70.79 -25.04 62.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.499 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 30.9 mt-30 -88.42 -2.83 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 17.4 tt0 -95.63 -47.66 6.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -118.02 -37.99 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.561 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 40.0 mt -82.88 18.04 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -116.58 149.08 43.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 111.085 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -52.35 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.367 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.05 39.73 3.11 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.7 154.45 42.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 111.096 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.584 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.5 m -87.33 18.02 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -44.89 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.3 pt -84.96 -177.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -125.09 136.05 53.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.6 mt -126.1 171.26 10.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.86 144.47 43.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 76.9 p -45.27 -40.42 7.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -72.27 -60.87 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.7 m -50.26 -59.83 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -45.22 -50.04 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.31 -56.97 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -54.75 -58.85 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 93' ' ' THR . 32.6 m -48.93 -59.48 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' THR . 33.8 m -36.89 -52.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -66.41 -54.84 19.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -44.57 -45.47 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.52 HG23 ' CE3' ' A' ' 70' ' ' TRP . 95.6 t -43.7 -46.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 96' ' ' VAL . 24.1 mmtm -34.5 -46.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.36 116.86 64.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.94 26.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.2 -159.11 9.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -106.28 -37.88 6.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -104.88 17.85 23.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.8 m -54.03 -47.7 71.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -97.1 17.84 16.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.32 -47.06 55.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.14 -59.9 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.34 -60.73 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.521 ' HA ' ' CE2' ' A' ' 47' ' ' PHE . 36.3 tt0 -43.87 -46.33 7.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' TYR . 33.6 tt0 -65.38 -53.8 38.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -39.18 -46.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.3 mm -63.97 -37.4 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.3 t80 -59.23 -56.26 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.479 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -58.93 -11.31 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.505 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 0.9 OUTLIER -93.09 -71.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.403 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 24.6 mtm -44.19 -39.42 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 117' ' ' SER . 5.0 ptmm? -44.71 -47.73 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.51 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.4 p -116.86 13.14 14.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.505 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -104.48 -64.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.512 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 38.7 m -94.19 -53.16 4.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.3 t80 -35.21 -50.86 1.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.713 0.768 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.512 ' HD2' ' C ' ' A' ' 119' ' ' SER . 63.9 Cg_exo -47.89 -54.16 5.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -56.05 -34.41 65.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.46 -49.09 68.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 120' ' ' TYR . 4.9 mp -61.72 -53.26 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -51.9 -46.38 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.6 p -60.02 153.71 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 128' ' ' ALA . 3.0 m -73.84 -41.85 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.82 -40.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.566 ' CE2' HD13 ' A' ' 133' ' ' LEU . 38.6 t80 -69.94 -54.71 12.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 131' ' ' GLU . 35.0 mm-40 -53.96 -46.06 71.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 9.2 mm-40 -35.88 -45.05 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 27.0 mt -66.54 -53.02 39.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 129' ' ' TYR . 15.2 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -67.22 -41.81 85.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.33 -42.54 66.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.41 -59.28 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -43.65 -43.06 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -41.54 -38.18 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' GLY . 9.1 m0 -67.93 -46.73 70.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -36.15 -43.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.491 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -48.47 -53.72 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.512 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 179.89 171.32 42.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 20' ' ' ASP . 7.0 ttp -54.91 -43.16 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 19' ' ' MET . 1.1 m-20 -31.98 -46.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 23' ' ' LEU . 71.9 mm-40 -78.01 -65.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -36.43 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' GLU . 80.6 mt -79.03 -54.63 5.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -44.97 -34.64 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.42 146.26 31.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.577 0.703 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.84 -47.84 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.11 -28.98 51.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' NE ' HD22 ' A' ' 49' ' ' LEU . 42.4 mtp180 -67.74 -50.98 54.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.755 0.312 . . . . 0.0 110.829 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.3 pt-20 -71.3 -47.46 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 91.2 mm-40 -51.67 -59.69 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CE1' HD21 ' A' ' 36' ' ' LEU . 15.9 t80 -52.72 -38.24 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -63.07 -55.89 21.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HE3' ' NE2' ' A' ' 31' ' ' GLN . 7.9 mtmp? -34.32 -55.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' A' ' 123' ' ' PHE . 50.8 t80 -52.64 -50.46 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 32' ' ' PHE . 25.5 mt -44.11 -53.94 5.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' LEU . 49.7 mt-10 -36.49 -46.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 3.7 m -56.86 -52.25 65.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -83.41 14.79 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 52.17 42.49 30.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' SER . 26.9 t -114.11 -16.5 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.477 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 85.9 p -34.56 -40.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' ASN . 6.1 pt-20 -57.03 -54.81 42.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' GLU . 11.3 m-20 -36.99 -43.44 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' ARG . 14.2 tp -84.24 -55.97 3.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' LEU . 23.1 mtp180 -36.99 -42.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.526 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 13.9 t80 -66.2 -46.94 75.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.558 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 43.0 t90 -51.48 -62.2 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.48 HD22 ' NE ' ' A' ' 29' ' ' ARG . 83.4 mt -48.9 -48.22 42.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.66 -56.67 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.1 t -54.4 -49.02 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE2' ' CH2' ' A' ' 48' ' ' TRP . 20.5 mt-10 -47.4 -45.79 25.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 63.0 m-20 -74.8 -40.25 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 62.9 tp -32.73 -66.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 5.7 ptpt -50.61 -42.21 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 45.8 mmtt -57.87 -40.79 81.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 57' ' ' ARG . 4.6 mmp_? -53.18 154.61 5.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 157.76 59.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -48.38 -45.53 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 59' ' ' ILE . 4.7 ptpt -59.06 -28.47 66.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -108.15 16.74 23.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.48 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.2 t -79.27 -60.13 0.56 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 0.0 111.177 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.78 -51.63 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.0 m -43.89 -37.99 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 11.6 tpp180 -79.12 -43.94 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' ARG . 25.8 t -33.86 -66.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 8.2 pt20 -59.45 -48.3 82.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 47.0 mm-40 -46.66 -63.3 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.3 mt -49.07 -40.73 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.182 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.462 ' O ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -74.66 -17.47 60.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 24.6 mt-30 -93.06 -3.37 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 2.7 tp10 -99.27 -45.98 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -118.0 -37.98 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 70' ' ' TRP . 16.7 mt -85.33 17.97 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.507 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -113.12 150.58 43.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.563 0.697 . . . . 0.0 111.118 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -53.58 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.27 46.53 2.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.453 ' O ' ' HB1' ' A' ' 81' ' ' ALA . . . -115.34 155.24 47.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.54 0.686 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.1 Cg_endo -69.75 -53.02 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.512 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 12.9 m -84.52 18.03 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -47.13 109.78 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 80' ' ' SER . 6.6 pt -95.33 -177.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -130.1 126.72 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.77 162.91 16.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -53.48 158.18 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -53.06 -55.67 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -69.24 -43.56 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.467 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 67.1 m -51.6 -53.36 39.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -57.51 -49.92 74.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -53.13 -44.54 67.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -66.2 -48.44 70.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.3 m -58.46 -56.74 18.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.7 m -45.65 -44.3 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -69.16 -45.16 70.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -58.77 -45.42 89.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 97' ' ' LYS . 91.9 t -42.76 -44.03 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' VAL . 27.9 mmtp -35.16 -46.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.02 116.23 63.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.89 24.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.09 -155.86 7.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.438 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 43.3 mtt180 -109.83 -38.0 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -105.2 17.86 23.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.0 m -56.07 -50.79 70.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 76.6 m-85 -90.26 17.91 6.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -54.1 -44.87 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.21 -60.38 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.1 -52.13 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.558 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 57.2 tt0 -48.2 -40.18 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -67.58 -48.11 67.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -52.41 -64.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 48.5 mm -52.35 -38.39 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.433 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 68.2 t80 -56.37 -62.62 1.6 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 37.6 mtmt -54.85 -26.1 33.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.488 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 0.5 OUTLIER -69.37 -70.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 116' ' ' LYS . 59.2 mtm -40.82 -37.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 115' ' ' MET . 18.4 mtpp -34.09 -70.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.418 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 3.5 m -107.48 18.03 22.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.488 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -97.92 -68.89 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.525 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -94.32 -51.91 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.512 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 0.9 OUTLIER -32.9 -51.42 0.64 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.914 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.525 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.7 Cg_exo -47.91 -59.3 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 123' ' ' PHE . 35.6 mtt180 -58.27 -51.94 67.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.452 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 16.1 t80 -36.97 -49.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.0 mt -64.92 -47.75 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -46.01 -51.02 14.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.3 t -60.05 140.51 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' ALA . 57.8 m -57.93 -36.05 71.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.79 -40.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' A' ' 133' ' ' LEU . 11.0 t80 -73.15 -52.15 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 131' ' ' GLU . 45.0 mm-40 -53.99 -42.66 69.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.1 mt-10 -35.86 -55.03 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.95 -55.28 34.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' A' ' 129' ' ' TYR . 10.3 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.697 0.284 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -47.76 84.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -59.18 -40.26 85.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.531 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 55.9 t -54.98 -60.22 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -45.03 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 44.8 mtt180 -52.68 -50.11 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.531 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 14.2 m0 -45.6 -28.37 0.95 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.68 29.32 2.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 22.5 m-85 -117.86 -33.22 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 158.65 146.74 4.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' ASP . 24.6 ttp -33.75 -47.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' MET . 11.4 t0 -32.34 -54.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 23' ' ' LEU . 73.8 mm-40 -68.8 -62.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -34.22 -32.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.6 mt -79.07 -55.27 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 20.0 pttt -45.55 -33.52 2.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 74.8 m-20 -89.44 142.64 29.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.575 0.703 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -51.35 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.7 -48.97 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.7 -29.84 26.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -66.22 -49.69 66.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.3 pt-20 -72.78 -44.67 61.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.436 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 71.2 mm-40 -54.62 -57.78 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 20.9 t80 -54.14 -38.28 65.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 tp -63.91 -53.68 46.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' LEU . 34.6 mttm -36.35 -45.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -61.36 -45.44 94.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.635 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 9.9 mp -53.19 -56.33 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -38.23 -39.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -63.77 -49.02 74.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -84.1 12.59 6.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 53.59 44.47 29.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' SER . 3.7 m -114.33 -17.31 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.478 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 86.1 p -35.11 -49.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -38.81 -47.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -50.71 -55.68 15.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' TRP . 26.3 tp -67.51 -57.38 6.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -37.43 -42.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.515 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 21.1 t80 -69.67 -43.23 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.503 ' CH2' HD11 ' A' ' 23' ' ' LEU . 25.4 t90 -53.37 -59.1 5.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.6 mt -54.52 -47.67 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.8 -46.03 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.61 -51.58 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -43.31 -47.94 6.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' LEU . 25.5 t0 -75.55 -43.92 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 47.9 tp -34.84 -64.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 12.5 ptpt -53.65 -44.01 69.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -56.46 -39.29 72.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -52.31 144.43 22.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.543 0.687 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.72 168.44 21.51 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.1 tp -54.08 -31.41 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -68.49 -31.24 70.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -116.3 13.56 15.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.498 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -75.35 -58.79 1.41 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.613 0.72 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.8 -51.3 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 m -46.63 -36.56 7.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.1 tpt180 -78.4 -45.04 23.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' ARG . 39.2 t -36.0 -65.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -59.49 -47.72 84.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -45.64 -61.08 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.4 mt -51.19 -44.01 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.466 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -71.6 -15.96 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.527 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 28.6 mt-30 -94.41 -2.17 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -104.43 -44.52 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.515 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 2.4 m-85 -113.91 -47.24 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.466 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 28.6 mt -79.44 18.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.527 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -119.55 140.09 28.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.094 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.27 47.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.71 -19.34 5.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.08 161.89 0.91 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.712 . . . . 0.0 111.083 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.5 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.358 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.5 m -97.7 18.04 16.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -45.95 105.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.1 pt -91.98 -178.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -130.03 125.4 35.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.4 mt -110.39 162.02 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' SER . 8.8 t0 -60.66 136.39 58.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' ASP . 5.1 t -34.75 -37.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.8 tppp? -76.17 -63.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -45.1 -43.32 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -59.45 -54.91 41.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -54.43 -47.41 72.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.53 ' HZ2' ' ND2' ' A' ' 95' ' ' ASN . 13.8 tmtt? -60.16 -44.76 94.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.2 m -65.62 -61.51 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.5 m -42.82 -42.16 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -69.98 -44.68 68.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.53 ' ND2' ' HZ2' ' A' ' 91' ' ' LYS . 4.1 m-20 -60.24 -46.82 88.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.4 t -37.69 -41.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' VAL . 31.7 mmtp -34.89 -43.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -109.64 115.02 56.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 127.96 15.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -147.88 -147.86 4.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 48.7 mtt180 -115.93 -36.56 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -110.09 18.02 20.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.2 m -53.62 -44.35 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -94.42 17.04 13.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 22.3 pt-20 -46.56 -47.75 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 105' ' ' GLU . 1.1 m-20 -60.65 -66.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.11 -47.86 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -55.7 -39.55 71.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 9.2 tt0 -71.42 -41.71 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.419 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 44.7 t60 -54.52 -54.05 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.9 mm -61.09 -37.69 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 5.4 t80 -57.12 -55.95 28.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 23.4 mtmt -56.1 -15.17 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.6 tp -92.91 -70.79 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 39.4 mtm -42.51 -36.62 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.537 ' HG3' ' N ' ' A' ' 117' ' ' SER . 8.0 ptmm? -51.89 -48.91 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.537 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.0 OUTLIER -117.87 15.98 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 114' ' ' LEU . 16.1 t70 -102.05 -62.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.58 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.1 t -95.17 -52.53 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.533 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -35.0 -49.22 1.08 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.751 . . . . 0.0 110.909 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.58 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.7 Cg_exo -48.02 -62.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.712 2.274 . . . . 0.0 112.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -57.52 -48.57 78.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -40.84 -43.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.31 -41.52 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -56.68 -46.92 80.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -65.43 152.59 43.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 130' ' ' GLN . 4.8 m -72.87 -32.18 65.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.27 -38.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.57 ' CE1' HD12 ' A' ' 133' ' ' LEU . 0.9 OUTLIER -74.76 -45.65 42.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' SER . 48.5 mm-40 -59.91 -39.95 87.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.2 mm-40 -37.65 -60.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 133' ' ' LEU . 1.2 mm? -47.35 -62.04 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.57 HD12 ' CE1' ' A' ' 129' ' ' TYR . 12.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.718 0.294 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -61.06 -45.56 94.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -55.16 -46.58 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG23 ' CH2' ' A' ' 15' ' ' TRP . 71.7 t -50.45 -57.83 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -43.98 -42.13 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -48.37 -36.28 14.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CH2' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -76.07 17.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 14' ' ' ARG . . . -96.2 23.01 36.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' CD ' ' A' ' 21' ' ' GLU . 31.3 m-85 -135.97 102.01 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.567 ' O ' ' CE1' ' A' ' 120' ' ' TYR . . . 59.22 -146.23 43.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 22' ' ' ALA . 20.4 ttp -115.33 -35.02 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -33.47 -70.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.497 ' CD ' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.64 -32.13 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -66.43 -35.19 79.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD13 ' CH2' ' A' ' 48' ' ' TRP . 4.4 mt -81.38 -39.95 24.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -41.44 -65.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -76.1 150.1 82.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -51.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -53.17 -46.88 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.62 -31.38 74.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -67.19 -48.79 66.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.5 pt-20 -71.67 -44.21 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 8.7 mm-40 -53.94 -59.74 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -53.59 -36.78 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -62.01 -57.14 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . 31.3 mttm -34.94 -53.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -56.46 -54.46 45.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 119' ' ' SER . 84.6 mt -39.88 -50.97 2.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -45.01 -40.89 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -60.78 -48.9 79.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.58 16.29 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 52.03 37.85 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 t -117.94 17.79 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.416 ' HG ' ' N ' ' A' ' 43' ' ' GLU . 87.5 p -62.31 -37.52 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' N ' ' HG ' ' A' ' 42' ' ' SER . 12.4 pt-20 -59.6 -47.68 84.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -42.08 -52.56 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' ARG . 40.9 tp -78.47 -53.2 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' LEU . 24.8 mtp180 -35.6 -49.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.521 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 10.9 t80 -65.14 -47.62 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.574 ' CH2' HD13 ' A' ' 23' ' ' LEU . 64.8 t90 -50.46 -51.62 45.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.82 -44.85 96.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.49 -52.72 7.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.89 -47.19 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HA ' ' NZ ' ' A' ' 55' ' ' LYS . 35.4 mt-10 -51.69 -55.4 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -43.14 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 31.8 tp -39.41 -53.29 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.501 ' CG ' ' HB3' ' A' ' 101' ' ' ARG . 23.6 mtmt -55.31 -47.32 75.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -62.12 -38.95 90.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 16.5 mmt180 -52.16 142.06 28.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.72 161.97 43.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.494 HG21 ' N ' ' A' ' 60' ' ' LYS . 6.9 tp -52.24 -33.46 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.494 ' N ' HG21 ' A' ' 59' ' ' ILE . 5.6 ptmt -68.18 -32.39 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -110.15 11.37 23.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.512 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.0 t -72.69 -58.26 2.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.624 0.726 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.78 -50.85 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.339 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.1 m -42.91 -38.83 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.3 tpt180 -76.05 -43.34 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ARG . 42.2 t -37.71 -66.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.409 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 18.7 pt20 -55.65 -46.88 77.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.9 mm-40 -49.41 -61.81 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.9 mt -45.55 -45.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.441 ' CD1' ' C ' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -74.16 -24.92 59.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.556 ' C ' ' HB1' ' A' ' 75' ' ' ALA . 23.9 mt-30 -82.8 -6.57 59.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -48.5 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CD1' ' OG ' ' A' ' 80' ' ' SER . 34.4 m-85 -98.01 -65.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD13 ' CD1' ' A' ' 104' ' ' PHE . 33.6 mt -70.86 18.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.556 ' HB1' ' C ' ' A' ' 71' ' ' GLN . . . -112.79 140.68 24.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.62 56.34 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.68 17.05 2.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -83.32 159.14 62.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.581 0.705 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -49.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.57 ' OG ' ' CD1' ' A' ' 73' ' ' PHE . 52.8 p -100.52 18.92 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -51.98 134.6 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.9 pt -112.76 -179.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.43 125.73 39.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 74' ' ' LEU . 30.5 mt -118.64 177.63 4.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.64 176.24 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.5 m -69.17 -49.75 53.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 88' ' ' SER . 20.7 pttp -67.72 -44.15 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 26.5 m -61.15 -61.86 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -48.16 -58.21 4.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -48.54 -56.01 9.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -47.22 -48.33 24.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.408 ' CG2' HD11 ' A' ' 74' ' ' LEU . 90.4 m -56.25 -65.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' THR . 18.7 m -37.46 -45.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 2.9 t-80 -68.56 -44.28 74.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -59.31 -45.51 91.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.8 t -39.87 -38.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 94' ' ' HIS . 15.5 mmtm -36.54 -44.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -108.68 115.14 58.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.697 0.761 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.96 31.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 2.282 . . . . 0.0 112.299 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.51 -148.09 5.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.501 ' HB3' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -117.83 -36.87 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.6 16.92 21.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.4 m -55.23 -49.75 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.554 ' CD1' HD13 ' A' ' 74' ' ' LEU . 63.3 m-85 -90.34 16.98 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -52.4 41.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -53.09 -65.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.09 -42.62 39.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -51.47 -39.08 56.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.469 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 17.7 tt0 -68.74 -54.61 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -43.45 -56.65 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.442 HG22 ' CE ' ' A' ' 115' ' ' MET . 46.6 mm -56.35 -44.3 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 4.1 t80 -55.9 -55.75 28.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.474 ' C ' ' HG2' ' A' ' 116' ' ' LYS . 7.1 mtmp? -58.21 -11.52 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.512 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -96.19 -68.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.442 ' CE ' HG22 ' A' ' 111' ' ' ILE . 31.2 mtm -48.79 -29.36 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.516 ' HG3' ' N ' ' A' ' 117' ' ' SER . 10.3 ptmm? -54.85 -46.28 74.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.516 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 7.5 t -115.83 16.58 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.512 ' OD1' ' CD1' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -103.73 -61.77 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.527 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 49.9 m -97.26 -54.94 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.573 ' CZ ' HD12 ' A' ' 124' ' ' ILE . 4.7 t80 -33.35 -51.27 0.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.692 0.758 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 64.6 Cg_exo -47.95 -62.91 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.623 2.216 . . . . 0.0 112.376 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 125' ' ' ARG . 31.2 mtt85 -56.67 -51.91 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 122' ' ' ARG . 28.7 t80 -35.38 -39.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.573 HD12 ' CZ ' ' A' ' 120' ' ' TYR . 59.7 mt -74.44 -41.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 122' ' ' ARG . 14.0 mmt180 -61.37 -46.27 90.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.7 m -58.34 175.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 130' ' ' GLN . 37.9 m -91.68 -35.21 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.66 -34.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HD2' ' CE2' ' A' ' 123' ' ' PHE . 7.8 t80 -85.41 -42.41 14.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 133' ' ' LEU . 55.5 mm-40 -62.32 -52.49 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 16.9 pt-20 -37.56 -39.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.472 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 46.7 mt -64.57 -46.33 83.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 130' ' ' GLN . 16.3 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.94 -50.67 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -53.8 -51.12 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.488 HG23 ' CH2' ' A' ' 15' ' ' TRP . 83.3 t -40.73 -55.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -47.11 -39.17 12.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -50.53 -32.38 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.488 ' CH2' HG23 ' A' ' 12' ' ' VAL . 2.7 m0 -76.04 10.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.36 3.94 54.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -125.38 102.55 7.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.53 ' O ' ' CZ ' ' A' ' 120' ' ' TYR . . . 56.94 164.48 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.543 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 41.0 ttp -75.49 -43.62 48.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 19' ' ' MET . 10.4 t70 -32.92 -43.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.47 -60.16 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.25 -46.52 17.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.556 HD13 ' CH2' ' A' ' 48' ' ' TRP . 14.1 mt -56.98 -49.97 74.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -43.17 -59.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.17 145.75 88.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.258 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 88.9 t -63.04 -46.41 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.3 -26.9 45.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -69.23 -48.24 62.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.9 pt-20 -71.1 -43.49 67.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 34.1 mm-40 -52.47 -59.0 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 44.1 t80 -54.19 -34.86 61.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.1 tp -66.05 -54.37 26.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' LEU . 29.7 mttm -35.02 -56.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' SER . 58.4 t80 -56.79 -53.57 56.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 5.9 mp -40.76 -50.9 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -47.14 -38.59 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 28.3 m -68.52 -50.57 51.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -80.54 15.48 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 52.01 42.3 30.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.8 t -112.93 -12.43 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 41.4 p -40.74 -37.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.49 -40.8 92.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' SER . 7.9 m-20 -54.23 -55.92 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' ARG . 31.6 tp -71.57 -55.3 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' LEU . 24.1 mtp180 -37.46 -44.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.459 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 7.2 t80 -65.65 -47.08 76.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.556 ' CH2' HD13 ' A' ' 23' ' ' LEU . 25.9 t90 -52.72 -60.2 3.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.2 mt -53.03 -52.26 59.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.94 -42.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.1 -53.17 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -50.06 -52.01 37.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.9 t70 -64.06 -47.91 78.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ASP . 33.1 tp -37.59 -52.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -52.01 -52.68 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -46.31 -43.75 16.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -52.39 145.29 20.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 164.81 33.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.297 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 60' ' ' LYS . 7.2 tp -50.4 -38.59 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.441 ' N ' HG21 ' A' ' 59' ' ' ILE . 7.7 ptpp? -60.51 -28.59 68.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -112.71 15.12 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.503 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -75.67 -58.9 1.3 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.77 -51.02 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.0 m -43.48 -39.23 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' VAL . 28.6 mmm-85 -80.42 -45.15 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' ARG . 17.9 t -33.8 -64.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.0 pt20 -59.94 -51.1 71.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.1 mm-40 -44.9 -64.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.6 mt -50.56 -42.01 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.23 -19.49 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.513 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 30.4 mt-30 -92.4 -2.22 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.583 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 2.4 tp10 -97.89 -46.07 6.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -117.93 -38.99 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.584 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 44.4 mt -83.42 18.03 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.513 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -117.07 149.22 43.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.71 . . . . 0.0 111.093 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.404 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.47 43.6 3.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.525 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.421 ' O ' ' HB1' ' A' ' 81' ' ' ALA . . . -113.81 154.03 45.92 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 55.4 m -87.21 18.02 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -45.2 108.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 80' ' ' SER . 12.0 pt -91.89 -177.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -129.71 131.59 46.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.2 mt -123.21 171.33 9.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' SER . 27.9 t70 -78.38 141.39 38.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' ASP . 74.1 m -38.07 -43.61 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -63.08 -59.68 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 t -55.37 -58.79 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -46.7 -48.66 20.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.21 -63.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -48.94 -48.1 43.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.3 m -58.41 -65.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.3 m -38.18 -46.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -66.34 -43.96 84.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -60.49 -45.28 94.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.549 HG21 ' CE3' ' A' ' 70' ' ' TRP . 98.8 t -38.87 -42.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -37.95 -43.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.93 115.97 61.56 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.67 0.748 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.44 4.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.27 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.92 -166.12 10.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -97.61 -46.53 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -95.53 17.98 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.6 m -56.97 -44.32 82.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.503 ' CE1' HD12 ' A' ' 74' ' ' LEU . 77.8 m-85 -95.45 17.51 14.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.7 -58.86 5.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.24 -65.13 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.22 -51.98 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.442 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 65.9 tt0 -45.33 -38.49 5.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 22.1 tt0 -71.26 -44.01 66.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -54.16 -51.86 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.17 -41.91 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.2 t80 -56.07 -55.05 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.485 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.2 mtmp? -58.43 -12.47 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -94.46 -64.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.4 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 33.9 mtm -49.21 -33.93 13.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 117' ' ' SER . 8.7 ptmm? -52.55 -49.88 64.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.521 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 26.1 t -117.51 14.91 14.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 114' ' ' LEU . 18.7 t70 -102.48 -59.93 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.544 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 41.2 m -96.75 -52.66 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.7 t80 -34.53 -50.44 1.0 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.642 0.734 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.544 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.0 Cg_exo -47.94 -56.68 2.89 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -55.95 -45.04 78.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -42.87 -42.23 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 120' ' ' TYR . 5.1 mp -70.27 -37.28 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -59.08 -57.28 13.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 t -61.1 172.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' GLN . 57.9 m -91.23 -31.21 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.88 -38.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.58 ' CE1' HD12 ' A' ' 133' ' ' LEU . 2.8 t80 -77.64 -41.85 36.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 127' ' ' SER . 34.4 mm-40 -63.69 -34.58 78.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 130' ' ' GLN . 4.1 mm-40 -35.66 -65.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.64 -49.79 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.58 HD12 ' CE1' ' A' ' 129' ' ' TYR . 4.9 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.24 -38.68 75.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -64.48 -41.43 96.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.527 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 97.2 t -58.92 -46.68 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -44.47 -45.14 9.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -48.57 -36.79 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.527 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 5.1 m0 -68.57 -26.51 65.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.23 26.81 2.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.42 ' H ' ' C ' ' A' ' 15' ' ' TRP . 57.9 m-85 -117.98 -32.86 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.916 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 168.23 147.0 5.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.571 ' O ' ' N ' ' A' ' 22' ' ' ALA . 8.9 ptm -36.24 -58.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' MET . 26.8 t0 -32.18 -49.29 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -60.57 -42.39 96.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -70.44 -44.16 68.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 19' ' ' MET . 15.3 mt -53.9 -53.78 47.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -59.94 -32.74 71.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 4.1 t70 -86.89 137.81 33.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -51.17 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.757 2.304 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.515 HG12 ' CH2' ' A' ' 15' ' ' TRP . 91.6 t -63.59 -37.47 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.73 -33.41 80.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -65.8 -48.54 71.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 6.2 pt-20 -72.6 -46.05 56.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 87.7 mm-40 -55.26 -55.9 26.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.579 ' CE2' HD21 ' A' ' 36' ' ' LEU . 43.0 t80 -56.31 -28.65 59.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -72.19 -48.11 45.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -38.98 -60.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 126' ' ' SER . 18.9 t80 -54.7 -47.34 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -50.61 -58.15 6.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -44.63 -42.46 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 m -62.55 -50.37 71.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.42 11.75 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 52.72 40.12 29.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' SER . 96.6 p -111.58 -24.6 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.478 ' CA ' ' HB3' ' A' ' 36' ' ' LEU . 17.5 t -35.87 -45.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 42' ' ' SER . 22.0 mt-10 -33.65 -52.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.73 -55.97 21.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.27 -61.54 2.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -40.13 -47.21 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -60.55 -45.08 95.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.529 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 9.5 t90 -56.32 -58.16 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.6 mt -55.77 -42.78 75.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.9 -47.7 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.074 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.75 -47.32 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' OE2' ' NE2' ' A' ' 108' ' ' GLN . 0.1 OUTLIER -50.12 -48.82 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.1 m-20 -66.47 -44.93 81.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 58.2 tp -35.45 -53.93 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -52.98 -48.02 67.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -55.93 -42.93 76.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -52.96 140.92 40.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.43 53.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.503 HG21 ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -48.09 -34.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.503 ' N ' HG21 ' A' ' 59' ' ' ILE . 16.7 ptpt -62.82 -32.48 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.79 14.29 18.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.514 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.73 -58.64 2.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.676 0.75 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.73 -51.57 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.9 m -43.19 -38.53 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.9 tpt180 -74.97 -45.57 41.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' ARG . 46.1 t -33.86 -66.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -55.52 -45.82 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 71' ' ' GLN . 5.6 mm-40 -53.24 -62.05 1.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.7 mt -47.54 -37.18 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -83.18 -16.35 46.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.554 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 8.9 mm-40 -92.31 -5.07 52.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.58 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.0 tp10 -95.6 -47.58 6.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' CB ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -118.0 -38.36 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 70' ' ' TRP . 17.8 mt -83.37 17.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.554 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -115.83 151.03 45.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 111.123 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -54.64 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.44 52.06 2.73 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.08 154.63 61.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.573 0.701 . . . . 0.0 111.057 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.57 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.628 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 1.6 m -86.81 18.0 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.59 110.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' A' ' 73' ' ' PHE . 8.6 pt -95.58 -177.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -131.32 127.81 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 111' ' ' ILE . 24.6 mt -123.09 162.48 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.4 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 7.1 t0 -62.71 137.59 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -40.49 -37.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -69.72 -58.52 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 p -53.14 -59.5 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -45.41 -62.57 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -42.46 -52.53 4.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -58.44 -57.11 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 93' ' ' THR . 78.7 m -51.63 -61.72 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 92' ' ' THR . 22.2 m -34.68 -49.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -64.82 -48.94 72.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.499 ' ND2' ' OD2' ' A' ' 106' ' ' ASP . 89.9 m-20 -54.85 -44.59 74.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 98' ' ' GLU . 96.5 t -40.63 -56.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 96' ' ' VAL . 6.8 mptt -33.53 -36.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 96' ' ' VAL . 9.2 mt-10 -95.52 104.59 16.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.12 4.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.03 -150.03 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -113.44 -38.0 4.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -104.44 16.59 25.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.4 m -56.39 -41.52 76.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.46 ' CE1' HD13 ' A' ' 74' ' ' LEU . 91.4 m-85 -86.3 -9.5 56.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PHE . 29.3 tt0 -33.48 -42.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.499 ' OD2' ' ND2' ' A' ' 95' ' ' ASN . 2.5 m-20 -64.84 -61.53 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.22 47.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.529 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 35.8 tt0 -43.33 -38.47 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -67.46 -53.96 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.4 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 7.0 t60 -44.32 -49.37 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 84' ' ' LEU . 45.9 mm -66.51 -43.93 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -51.49 -65.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.497 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 39.1 mtmt -45.79 -34.42 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.3 tp -69.94 -69.29 0.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 116' ' ' LYS . 72.0 mtm -41.53 -39.86 1.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 26.9 mtpt -35.72 -68.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 4.4 t -114.53 17.87 17.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 33.5 t70 -98.87 -65.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.589 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.4 p -90.01 -52.37 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.599 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 25.9 t80 -33.15 -49.69 0.65 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.698 0.761 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 65.9 Cg_exo -47.97 -59.37 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 49.3 mtt-85 -48.19 -50.96 27.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 44.1 t80 -37.54 -57.78 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.46 HD12 ' CZ ' ' A' ' 120' ' ' TYR . 55.5 mt -56.29 -59.87 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.07 -42.37 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.46 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 5.5 t -66.29 147.24 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.5 t -68.03 -35.39 78.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -37.52 -41.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.521 ' CE2' HD13 ' A' ' 133' ' ' LEU . 16.2 t80 -68.75 -53.86 19.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 131' ' ' GLU . 31.3 mm-40 -53.93 -37.78 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 130' ' ' GLN . 6.4 mm-40 -35.17 -61.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -52.49 -61.54 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.521 HD13 ' CE2' ' A' ' 129' ' ' TYR . 20.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 133' ' ' LEU . 43.3 tt0 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.713 0.292 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -60.45 -50.14 74.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 8.6 mpt_? -58.36 -48.25 81.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.524 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 57.5 t -50.36 -53.2 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -57.13 -48.45 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.2 mmt-85 -43.63 -46.28 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.524 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 2.0 m0 -57.1 -50.61 72.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 18' ' ' GLY . . . -38.8 -24.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' TRP . 56.0 m-85 -76.9 13.91 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' TRP . . . 122.08 170.09 13.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.535 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 16.9 ttp -68.74 -42.32 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 19' ' ' MET . 5.6 m-20 -32.71 -45.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -69.56 -43.6 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -64.86 -31.91 73.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 19' ' ' MET . 45.4 mt -71.89 -55.98 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -54.33 -33.94 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -92.33 142.02 25.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.31 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.721 2.28 . . . . 0.0 112.339 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.09 -44.77 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.83 -28.72 68.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' CZ ' ' CD2' ' A' ' 49' ' ' LEU . 20.8 mtt180 -69.8 -49.85 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.308 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.3 pt-20 -70.36 -44.1 68.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 61.8 mm-40 -52.81 -61.35 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 14.5 t80 -54.39 -36.55 64.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.6 tp -63.25 -53.11 58.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' LEU . 67.2 mttt -35.99 -53.92 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 33.6 t80 -56.6 -45.15 81.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD23 ' CZ ' ' A' ' 32' ' ' PHE . 42.1 mt -48.33 -57.33 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -42.19 -38.98 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -61.87 -50.04 73.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.613 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 4.8 pt-20 -85.76 12.08 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.613 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 51.21 40.94 27.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.457 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 22.9 m -117.96 16.16 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 m -68.39 -38.35 81.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' CA ' ' OE1' ' A' ' 43' ' ' GLU . 1.5 mm-40 -41.83 -49.16 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -47.51 -56.38 7.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 48' ' ' TRP . 25.1 tp -67.26 -54.45 20.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' LEU . 3.1 mmp_? -36.14 -51.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.523 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 7.1 t80 -61.75 -42.24 98.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 24.2 t90 -56.29 -61.85 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 ' CD2' ' CZ ' ' A' ' 29' ' ' ARG . 74.0 mt -51.12 -46.65 61.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.29 -55.98 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.88 -54.13 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -40.01 -44.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' LEU . 4.4 t70 -73.12 -41.79 63.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASP . 50.5 tp -37.35 -46.59 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -49.58 77.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -57.86 -39.36 77.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -51.97 151.92 6.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 163.4 38.48 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.319 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.565 HG22 ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -56.99 -27.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.565 ' N ' HG22 ' A' ' 59' ' ' ILE . 6.1 ptmt -72.94 -30.76 64.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -105.66 9.81 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.51 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -74.78 -58.64 1.63 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.73 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.404 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -47.45 -34.86 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.8 mmm180 -78.97 -43.53 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' ARG . 25.3 t -32.85 -64.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.6 pt20 -60.17 -47.73 84.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 23.3 mm-40 -45.97 -59.04 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.3 mt -51.5 -41.57 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.551 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.69 -17.96 61.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.558 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 36.1 mt-30 -94.54 -0.62 54.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.575 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 15.1 tt0 -101.39 -44.94 5.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.8 OUTLIER -117.6 -38.81 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.551 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 57.1 mt -85.0 17.99 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.558 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -119.82 142.71 33.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.052 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 137.73 36.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.67 -16.28 15.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.09 159.82 1.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.552 0.692 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.7 1.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.238 . . . . 0.0 112.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.58 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 11.9 m -101.18 18.08 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -45.79 103.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.1 pt -91.37 -177.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -126.39 139.92 52.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 69.9 mt -128.64 177.67 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' SER . 43.8 t0 -84.6 131.53 34.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' ASP . 25.2 m -36.4 -36.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -70.28 -64.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 m -54.36 -53.88 48.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -48.45 -51.74 25.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -48.37 -57.56 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -52.12 -49.06 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' THR . 25.5 m -56.95 -60.67 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' THR . 11.1 m -36.07 -55.28 0.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -65.31 -46.05 81.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -52.31 -44.05 64.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' LYS . 90.4 t -46.86 -42.04 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' VAL . 15.8 mmtp -35.18 -47.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -100.94 114.5 65.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 118.65 5.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 0.0 112.375 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.48 -148.18 5.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -116.45 -37.12 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -109.9 18.04 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.2 m -51.72 -41.26 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -91.65 17.91 8.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -47.07 -50.52 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.28 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.42 ' NE2' ' CD1' ' A' ' 48' ' ' TRP . 8.4 tp60 -37.75 -43.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 112' ' ' TYR . 25.1 tt0 -68.27 -60.7 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 109' ' ' GLU . 43.5 t60 -36.51 -54.23 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 48.7 mm -55.79 -42.72 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 7.1 t80 -55.53 -56.82 15.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.47 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -55.12 -14.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 111' ' ' ILE . 2.3 tp -93.58 -70.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.504 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 51.3 mtm -44.31 -35.28 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.5 ptmt -51.2 -49.2 61.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.524 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.6 t -116.88 17.94 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 115' ' ' MET . 50.8 t0 -98.0 -67.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.56 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -95.66 -49.81 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.4 t80 -34.64 -49.92 1.02 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.56 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.9 Cg_exo -47.95 -54.63 4.94 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.264 . . . . 0.0 112.3 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -59.89 -38.74 83.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -48.65 -44.75 37.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 120' ' ' TYR . 5.3 mp -65.6 -53.36 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.22 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.9 t -63.03 148.86 46.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' ALA . 3.1 m -67.81 -37.82 82.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.09 -40.27 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.3 -59.54 2.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 131' ' ' GLU . 35.7 mm-40 -49.12 -44.14 42.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 130' ' ' GLN . 7.3 mt-10 -36.25 -43.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.409 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 22.7 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.771 0.32 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -68.88 -40.33 79.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -42.64 86.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.554 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 90.7 t -59.54 -58.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -46.11 -46.12 16.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -42.26 -41.53 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 6.9 m0 -62.81 -41.35 99.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.3 -20.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' TRP . 39.5 m-85 -79.24 15.22 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.558 ' C ' ' CE2' ' A' ' 120' ' ' TYR . . . 109.75 166.98 19.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.577 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 27.7 ttp -59.97 -43.15 95.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 19' ' ' MET . 9.0 p-10 -32.22 -41.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' OE1' ' CD ' ' A' ' 24' ' ' LYS . 63.2 mm-40 -76.91 -66.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -36.04 -35.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.556 HD12 ' CH2' ' A' ' 48' ' ' TRP . 81.2 mt -66.73 -55.35 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -49.13 -36.7 19.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.462 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 19.0 t70 -85.59 141.12 36.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.656 0.741 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.75 -45.4 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.67 -57.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.39 -29.18 2.49 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -67.24 -48.8 66.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.5 pt-20 -69.75 -43.69 71.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 18.1 mm100 -53.54 -60.45 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.618 ' CE1' HD11 ' A' ' 36' ' ' LEU . 20.4 t80 -50.8 -38.11 46.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -62.25 -54.2 44.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . 33.4 mttm -35.24 -61.85 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -47.02 -54.55 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.618 HD11 ' CE1' ' A' ' 32' ' ' PHE . 8.9 mp -47.4 -58.13 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -38.75 -35.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -71.26 -50.0 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 41' ' ' SER . 10.4 pt-20 -77.84 11.22 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 53.66 43.28 31.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.475 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 3.1 m -115.71 -21.4 9.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLU . 59.8 p -34.83 -44.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' SER . 1.3 mm-40 -35.07 -48.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -53.21 -57.73 9.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' ARG . 24.6 tp -65.51 -56.42 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LEU . 36.6 mtp180 -34.92 -43.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.552 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.8 t80 -69.38 -49.82 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.565 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 16.1 t90 -50.08 -63.11 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -47.52 -46.85 27.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.78 -43.37 37.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.42 -54.86 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 32.2 mm-40 -41.84 -42.03 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 54' ' ' LEU . 10.2 t0 -75.73 -43.61 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 69' ' ' ILE . 59.5 tp -34.4 -65.42 0.2 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -49.12 -48.89 44.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -52.36 -40.23 61.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -53.7 152.66 9.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 163.06 39.65 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.57 HG22 ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -55.16 -29.05 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.57 ' N ' HG22 ' A' ' 59' ' ' ILE . 5.5 ptmt -71.95 -31.87 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -108.32 10.72 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -73.28 -58.61 2.36 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.3 Cg_endo -69.7 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.6 m -41.87 -36.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' VAL . 16.3 mmt-85 -82.08 -42.92 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' ARG . 23.3 t -32.74 -65.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 6.1 pt20 -61.52 -48.47 80.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 67.4 mm-40 -46.49 -63.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 54' ' ' LEU . 25.3 mt -47.52 -44.01 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.473 ' CE3' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -71.79 -18.79 62.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.504 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 22.8 mt-30 -92.09 -2.12 56.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.559 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 11.0 tt0 -107.04 -39.5 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 4.4 m-85 -117.99 -42.14 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 70' ' ' TRP . 18.0 mt -86.55 17.78 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.504 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -111.66 149.84 41.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -54.37 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -91.6 53.88 3.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -122.62 156.16 61.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.542 0.687 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -52.76 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.603 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -87.06 18.0 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 75' ' ' ALA . . . -49.13 109.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.9 pt -94.29 -176.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -130.57 130.94 44.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.5 mt -123.7 165.23 17.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.82 165.06 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.9 p -67.22 -44.85 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 88' ' ' SER . 14.4 ptpt -72.36 -43.01 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 67.6 m -63.87 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -46.68 -47.96 20.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.66 -52.64 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -51.92 -48.81 64.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.6 m -61.04 -52.18 66.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.7 m -39.72 -47.45 2.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -67.46 -44.45 78.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.424 ' HB3' ' CG2' ' A' ' 103' ' ' THR . 89.8 m-20 -58.63 -41.27 85.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.473 HG23 ' CE3' ' A' ' 70' ' ' TRP . 88.5 t -47.55 -46.06 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -39.77 -43.24 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.85 116.17 62.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.413 ' CB ' ' HB3' ' A' ' 63' ' ' PRO . 54.0 Cg_endo -69.77 140.77 43.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.616 2.211 . . . . 0.0 112.362 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.75 -151.05 6.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -114.3 -35.89 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -111.92 16.77 20.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.424 ' CG2' ' HB3' ' A' ' 95' ' ' ASN . 87.4 m -53.36 -38.12 63.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -98.89 17.63 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.92 -51.95 37.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -60.98 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.91 -61.79 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.565 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 27.0 tt0 -44.81 -38.72 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -71.32 -47.0 59.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -52.32 -58.13 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 46.9 mm -59.51 -34.84 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -58.0 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -50.03 -29.92 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.524 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -67.84 -74.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.467 ' O ' ' C ' ' A' ' 116' ' ' LYS . 65.8 mtm -37.97 -42.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 115' ' ' MET . 18.7 mtpp -32.98 -71.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.3 t -102.96 17.82 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.524 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -98.92 -66.07 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.549 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 20.4 m -93.38 -50.93 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.4 t80 -33.5 -50.7 0.76 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.668 0.747 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.549 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.5 Cg_exo -47.94 -53.96 5.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.378 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.494 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 42.8 mtt180 -61.44 -39.23 90.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -63.61 -40.62 97.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.95 -43.97 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.494 ' CG ' ' HA ' ' A' ' 122' ' ' ARG . 4.3 ppt_? -73.08 -30.15 63.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.473 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 83.8 p -66.53 128.32 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 128' ' ' ALA . 32.3 m -43.24 -41.44 3.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.36 -36.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.443 ' CE1' HD13 ' A' ' 133' ' ' LEU . 4.0 t80 -81.91 -46.04 14.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -59.64 -52.75 64.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 17.5 pt-20 -43.09 -41.13 3.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 69.8 mt -62.08 -46.33 89.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.443 HD13 ' CE1' ' A' ' 129' ' ' TYR . 7.0 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.752 0.31 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.38 -47.11 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -57.1 -54.6 44.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.492 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 67.1 t -42.28 -60.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -49.08 -42.82 40.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' TRP . 8.8 tpt180 -53.97 -46.22 71.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.492 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 51.8 m0 -38.05 -35.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.3 -145.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 50.55 34.66 9.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.99 138.25 10.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 20' ' ' ASP . 45.4 ttp -39.94 -38.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 19' ' ' MET . 28.9 m-20 -32.68 -60.03 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' ALA . 15.8 mm-40 -56.88 -62.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -36.9 -42.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' LYS . 39.5 mt -65.59 -55.01 19.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' LEU . 2.2 mptm? -37.05 -59.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.8 t70 -73.72 141.34 79.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.1 Cg_endo -69.82 -46.64 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.217 . . . . 0.0 112.378 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.24 -48.44 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.15 -28.09 40.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -68.59 -47.15 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.6 pt-20 -73.5 -43.53 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 48.3 mm-40 -56.4 -56.97 14.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.614 ' CE1' HD12 ' A' ' 36' ' ' LEU . 9.9 t80 -54.48 -35.2 62.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -65.56 -54.62 25.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 37.6 mttm -35.09 -58.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 126' ' ' SER . 53.2 t80 -50.55 -48.62 57.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' A' ' 32' ' ' PHE . 6.4 mp -54.35 -53.05 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -40.93 -42.83 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -61.11 -50.56 72.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.75 15.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 52.78 38.9 27.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' SER . 34.6 m -108.51 -19.95 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.472 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 30.9 p -37.01 -47.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' SER . 37.7 mt-10 -33.93 -61.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -40.03 -58.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ARG . 45.9 tp -65.73 -60.93 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' LEU . 63.5 mtt180 -35.47 -45.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.46 -51.17 64.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.537 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 9.8 t90 -50.75 -57.87 7.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.3 mt -51.99 -50.78 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.74 -43.69 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.12 -44.82 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 20.7 mm-40 -55.69 -50.1 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 54' ' ' LEU . 41.7 t0 -69.46 -40.44 77.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' ASP . 67.1 tp -33.98 -56.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -51.69 -48.72 63.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . 27.3 mmtp -54.85 -41.71 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.933 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -52.31 147.37 13.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.822 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 160.84 48.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.621 2.214 . . . . 0.0 112.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.462 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 7.2 tp -53.42 -34.86 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.13 -29.81 70.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -113.52 14.46 19.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.511 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.55 -58.45 2.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.707 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.4 Cg_endo -69.79 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -44.05 -37.81 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.454 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.5 tpt180 -78.51 -44.9 23.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' ARG . 39.5 t -37.19 -65.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -58.86 -46.05 88.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -47.12 -64.66 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.6 mt -46.05 -43.19 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -72.55 -24.69 61.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.559 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 29.1 mt-30 -83.09 -6.24 59.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 2.1 tp10 -108.09 -50.93 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.556 ' C ' ' H ' ' A' ' 75' ' ' ALA . 47.7 m-85 -98.01 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.1 mt -71.01 17.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.559 ' HB2' ' C ' ' A' ' 71' ' ' GLN . . . -115.17 143.5 30.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 0.0 111.112 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . 53.5 Cg_endo -69.79 162.81 40.67 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.703 2.268 . . . . 0.0 112.385 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 42.87 21.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' PRO . . . -84.55 155.38 62.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.553 0.692 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -35.78 11.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.516 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 69.5 m -109.46 17.95 20.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -51.97 116.46 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.3 pt -95.1 -176.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -130.02 127.35 39.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.1 mt -126.67 174.1 8.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -63.87 169.33 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -64.57 -59.55 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -64.55 -44.53 90.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.1 m -56.07 -61.47 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -49.84 -53.67 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -54.42 -49.82 69.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -46.65 -57.99 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.0 m -52.7 -54.83 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.1 m -39.04 -39.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -74.09 -46.4 43.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -57.06 -44.01 82.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 97' ' ' LYS . 89.5 t -39.69 -45.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 96' ' ' VAL . 28.5 mmtt -34.59 -45.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -100.39 116.7 64.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 120.02 6.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -150.23 -168.0 14.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -97.93 -48.61 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.25 17.88 11.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.9 m -54.85 -43.7 73.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.404 ' CZ ' HG13 ' A' ' 66' ' ' VAL . 23.8 m-85 -93.6 17.58 11.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -47.14 -48.38 23.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -52.24 -63.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.72 -54.77 9.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.537 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 59.7 tt0 -46.53 -40.6 12.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -66.53 -53.74 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -49.27 -57.43 6.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 48.2 mm -61.09 -45.05 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -47.58 -57.63 5.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.483 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 22.8 mtmt -56.65 -32.54 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.6 tp -68.84 -67.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 116' ' ' LYS . 73.6 mtm -41.58 -42.25 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.483 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 26.0 mtpt -33.62 -68.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 0.3 OUTLIER -113.49 17.98 17.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 31.7 t70 -98.23 -69.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.56 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 3.2 p -89.44 -51.21 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.58 ' CE1' HD12 ' A' ' 124' ' ' ILE . 2.2 t80 -33.73 -50.12 0.8 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.677 0.751 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.56 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.3 Cg_exo -47.99 -65.95 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -39.42 -51.05 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 13.0 t80 -39.24 -56.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 120' ' ' TYR . 4.7 mp -61.35 -38.12 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -58.38 -55.42 35.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.555 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 8.0 t -55.78 161.11 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 128' ' ' ALA . 4.8 m -81.78 -33.13 31.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.88 -42.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -67.87 -49.51 61.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -59.54 -44.7 93.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.75 -58.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.52 -46.8 73.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' HG2' ' NE2' ' A' ' 10' ' ' GLN . 35.8 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.756 0.312 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.439 ' NE2' ' HG2' ' A' ' 9' ' ' GLN . 1.9 mp0 -56.99 -41.94 79.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -52.21 -43.96 64.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.56 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 94.3 t -57.52 -46.57 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -54.9 -39.8 69.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.44 ' CG ' ' OE1' ' A' ' 21' ' ' GLU . 9.4 tpt180 -49.32 -37.33 23.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 2.1 m0 -68.95 -25.89 64.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.49 11.3 4.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 15' ' ' TRP . 27.2 m-85 -103.35 -37.57 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.836 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.482 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 172.21 145.22 4.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' ASP . 42.4 ttp -37.75 -45.77 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' MET . 32.4 t0 -32.26 -57.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' LEU . 35.0 mm-40 -64.21 -64.0 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -34.75 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' GLU . 40.5 mt -76.6 -55.22 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 1.2 ptmm? -47.88 -37.98 15.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 19.9 m-20 -83.48 144.09 45.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.642 2.228 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.66 -52.7 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.28 -31.18 8.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -65.22 -49.83 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.8 pt-20 -72.49 -44.58 62.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 47.6 mm-40 -55.08 -57.74 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 36' ' ' LEU . 36.1 t80 -52.35 -36.67 54.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.5 tp -66.24 -53.22 39.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 50.8 mttt -34.62 -59.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 38' ' ' SER . 60.8 t80 -55.29 -52.84 62.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 5.6 mp -41.34 -52.36 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -45.05 -38.65 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 25.5 m -66.65 -52.33 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -78.7 15.81 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 51.93 44.76 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' SER . 38.9 t -116.08 -17.04 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.468 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 66.1 p -35.38 -38.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' ASN . 34.8 mt-10 -55.04 -57.35 12.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.1 m-20 -36.63 -61.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.2 tp -64.96 -53.08 51.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -40.63 -42.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -70.24 -42.12 72.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.557 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 28.7 t90 -61.17 -54.17 47.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.22 -50.13 67.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.07 -44.29 31.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.8 t -63.24 -48.84 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 24.1 mm-40 -52.09 -41.73 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 54' ' ' LEU . 85.7 m-20 -77.83 -41.41 37.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' ASP . 54.1 tp -35.16 -62.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.86 -44.16 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -55.91 -40.08 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -52.83 152.44 7.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.729 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.72 160.03 51.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.357 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.475 HG21 ' N ' ' A' ' 60' ' ' LYS . 7.6 tp -52.79 -28.62 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.475 ' N ' HG21 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -74.07 -31.35 62.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.837 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.54 9.19 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.501 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -74.42 -58.82 1.76 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.77 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.2 m -43.62 -36.17 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' VAL . 1.9 tpt180 -78.54 -41.89 30.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 65' ' ' ARG . 37.5 t -36.76 -66.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 18.4 pt20 -54.74 -47.68 73.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 78.3 mm-40 -48.26 -64.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mt -42.19 -47.37 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.602 ' CE3' ' CB ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -70.62 -31.4 68.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.593 ' C ' ' HB1' ' A' ' 75' ' ' ALA . 29.5 mt-30 -76.78 -7.64 55.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 17.9 tt0 -107.69 -49.27 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.541 ' C ' ' H ' ' A' ' 75' ' ' ALA . 16.4 m-85 -97.98 -63.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.602 ' CB ' ' CE3' ' A' ' 70' ' ' TRP . 54.9 mt -71.02 18.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.593 ' HB1' ' C ' ' A' ' 71' ' ' GLN . . . -114.11 141.11 25.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 111.114 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.21 50.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.82 17.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 75' ' ' ALA . . . -80.76 159.05 69.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.539 0.685 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -43.31 2.72 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.31 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.72 17.95 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -49.97 122.4 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.5 pt -101.96 -178.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -124.3 138.65 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.2 mt -132.7 176.17 8.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -72.39 161.89 30.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 p -63.56 -48.68 76.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 88' ' ' SER . 11.0 ptpp? -67.38 -40.73 85.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 59.1 m -66.37 -60.58 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -44.21 -45.68 8.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.91 -54.02 50.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -47.98 -46.49 32.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.1 m -61.37 -62.04 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.0 m -40.46 -42.51 1.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.54 -43.28 85.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' VAL . 10.4 m-20 -64.38 -46.52 82.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LYS . 88.5 t -35.76 -39.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -34.57 -50.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -112.65 111.3 51.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 132.13 22.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.1 -137.83 3.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -117.8 -34.86 4.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -112.48 17.67 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 98.2 m -55.86 -39.04 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -97.51 17.51 17.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -52.23 -50.12 62.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.07 -58.36 7.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.26 -59.04 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.557 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 50.4 tt0 -44.57 -39.77 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -69.57 -49.68 51.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -48.94 -56.04 10.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.465 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 45.8 mm -61.4 -49.67 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.404 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 37.0 t80 -43.07 -62.84 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.475 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 41.4 mtmt -49.95 -39.2 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.542 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER -63.08 -66.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 116' ' ' LYS . 74.1 mtm -39.57 -45.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 120' ' ' TYR . 8.6 mtpm? -33.23 -69.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.447 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.6 t -108.4 18.93 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.542 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 7.9 t0 -98.01 -70.88 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.599 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.1 t -92.16 -53.51 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.527 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 1.2 t80 -32.5 -49.84 0.56 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.738 0.78 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.599 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.6 Cg_exo -48.03 -59.62 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.234 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 123' ' ' PHE . 50.0 mmt-85 -47.18 -52.33 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 122' ' ' ARG . 5.5 t80 -35.22 -47.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.0 mp -67.77 -50.07 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -48.41 -42.84 33.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 p -73.64 155.56 38.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' ALA . 5.8 m -80.29 -30.0 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.39 -44.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -75.08 -45.67 39.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -54.69 -48.62 72.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -40.55 -48.35 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.2 mp -54.57 -46.53 73.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.853 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.71 0.291 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -61.64 -46.34 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -55.52 -55.82 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.521 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 94.2 t -42.57 -57.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -39.01 -45.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 16.0 mtt180 -52.64 -46.11 66.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.521 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 24.7 m0 -48.62 -28.57 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.26 28.96 2.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 19.1 m-85 -116.38 15.34 15.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.17 151.08 9.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' ASP . 20.5 ttp -43.78 -48.62 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' MET . 2.4 t70 -34.71 -65.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.3 -50.84 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.79 -45.64 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD13 ' CH2' ' A' ' 48' ' ' TRP . 8.2 mt -67.22 -49.54 64.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' LEU . 16.1 mmtm -34.22 -62.07 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.463 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 19.9 t70 -69.5 141.78 91.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.0 Cg_endo -69.81 -45.32 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.17 -44.67 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.9 -29.55 59.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -64.58 -48.68 74.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -73.53 -41.64 62.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -58.02 -58.88 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.543 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 25.9 t80 -54.9 -33.2 61.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.3 tp -65.71 -55.91 14.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . 36.0 mttt -34.84 -56.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 49.3 t80 -51.46 -39.92 58.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 33' ' ' LEU . 44.4 mt -57.26 -61.04 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -37.15 -43.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -56.26 -54.68 42.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.599 ' OE2' ' CE2' ' A' ' 35' ' ' PHE . 15.3 pt-20 -82.29 11.26 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 55.71 39.02 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.3 p -117.33 17.26 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -69.52 -38.94 77.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -45.19 -50.84 11.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -44.51 -43.14 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.61 -49.43 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -43.13 -47.49 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -43.42 92.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.498 ' CH2' HD13 ' A' ' 23' ' ' LEU . 29.6 t90 -57.55 -50.16 74.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.09 -52.32 56.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.06 -46.0 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.64 -53.92 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -45.89 -37.12 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 56' ' ' LYS . 22.9 t70 -83.55 -42.07 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 53' ' ' ASP . 42.4 tp -32.33 -64.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -47.71 -42.3 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 53' ' ' ASP . 11.7 mmpt? -56.63 -40.8 76.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mmp_? -53.64 150.04 14.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.702 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' VAL . 54.2 Cg_endo -69.79 166.18 28.48 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.539 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.2 -31.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.499 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -69.13 -30.78 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -114.21 10.51 17.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.517 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.0 t -73.49 -58.22 2.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.1 Cg_endo -69.75 -51.47 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.1 m -42.11 -36.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -78.37 -41.81 32.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ARG . 43.3 t -35.05 -67.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.05 -45.23 87.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.9 mm-40 -50.87 -66.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.6 mt -40.88 -39.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.535 ' CD1' ' C ' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -76.56 -32.11 57.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 26.8 mt-30 -81.51 -4.24 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.566 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 27.7 tt0 -96.2 -47.22 6.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' ' CB ' ' A' ' 80' ' ' SER . 2.7 m-85 -117.92 -37.99 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 70' ' ' TRP . 28.2 mt -84.25 17.95 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -111.06 150.87 42.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 111.075 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.49 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.64 45.24 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -109.39 154.67 42.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.411 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.75 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.573 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 16.5 m -90.87 18.01 7.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -46.14 112.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 80' ' ' SER . 6.7 pt -95.11 -177.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -125.67 133.1 52.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.1 mt -129.8 174.01 10.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -66.07 176.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.9 p -79.47 -49.19 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -69.84 -41.95 74.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.474 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 45.6 m -61.4 -60.75 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -44.42 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -41.3 -58.21 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -49.53 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.1 m -53.7 -56.9 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.3 m -44.12 -43.4 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -71.4 -44.1 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -57.77 -47.8 81.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 88.8 t -40.24 -44.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -39.45 -45.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -98.48 113.64 64.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 122.31 8.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.22 -161.88 10.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -105.92 -36.6 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -103.1 16.65 26.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.2 m -56.2 -35.86 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -104.22 17.29 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -54.56 -42.46 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -64.15 -67.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.85 -49.41 29.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -55.51 -36.92 67.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.518 ' O ' ' CD ' ' A' ' 113' ' ' LYS . 1.7 tt0 -69.3 -36.85 77.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.436 ' HA ' ' NZ ' ' A' ' 113' ' ' LYS . 16.0 t60 -59.87 -55.98 27.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.3 mm -53.58 -31.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.461 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 17.1 t80 -58.08 -62.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.518 ' CD ' ' O ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -54.5 -15.03 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.2 tp -89.97 -71.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.4 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 37.2 mtm -43.03 -37.87 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 117' ' ' SER . 6.4 ptmm? -54.01 -45.21 71.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 3.3 m -117.78 14.2 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 114' ' ' LEU . 17.4 t70 -103.34 -63.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.56 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.9 m -95.61 -50.69 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.799 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.547 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 1.7 t80 -37.73 -48.42 2.69 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.667 0.746 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.56 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.2 Cg_exo -47.96 -55.49 3.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -64.38 -43.96 92.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.543 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 79.7 t80 -45.27 -39.16 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.6 mm -65.84 -39.78 85.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -67.82 -47.09 70.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.5 p -52.06 161.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 128' ' ' ALA . 1.4 t -77.83 -36.11 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.79 -35.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.575 ' CE2' HD11 ' A' ' 133' ' ' LEU . 39.8 t80 -81.14 -44.5 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' GLU . 39.1 mm-40 -62.17 -55.14 31.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 8.3 pt-20 -36.72 -38.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.492 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 23.1 mt -65.99 -50.19 65.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 129' ' ' TYR . 18.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 133' ' ' LEU . 39.1 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.755 0.312 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.77 -41.68 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 11' ' ' ARG . 9.9 ttt180 -58.82 -55.88 29.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.533 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 87.2 t -41.48 -40.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -52.7 -49.2 65.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 30.4 mmt-85 -39.78 -52.97 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.533 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 1.4 m0 -56.93 -42.01 79.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.33 -27.34 2.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -67.47 -47.03 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 120' ' ' TYR . . . 176.72 169.06 37.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.7 ttp -50.07 -46.21 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -41.63 -58.53 1.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.49 -26.01 68.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -76.25 -31.02 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.571 HD21 ' CZ3' ' A' ' 48' ' ' TRP . 10.8 mt -81.75 -55.19 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -38.17 -38.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -87.66 143.61 34.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.572 0.701 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.86 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.03 -45.09 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -28.34 51.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.492 ' NE ' HD23 ' A' ' 49' ' ' LEU . 36.4 mtp180 -66.87 -51.35 56.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.7 pt-20 -70.66 -44.4 67.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 59.4 mm-40 -55.41 -60.79 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 4.6 t80 -54.72 -34.01 61.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.4 tp -64.53 -57.43 9.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 21.4 mttm -34.32 -63.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 25.8 t80 -42.71 -44.71 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 48.1 mt -56.66 -51.9 66.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -39.08 -39.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 40.2 m -58.18 -61.9 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.573 ' OE2' ' CE2' ' A' ' 35' ' ' PHE . 11.0 pm0 -71.19 2.96 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 57.98 41.29 24.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' SER . 79.9 p -110.9 -20.78 12.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . 69.2 p -36.6 -41.46 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' SER . 24.6 pt-20 -37.03 -46.39 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -55.42 -50.98 68.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' TRP . 53.0 tp -69.06 -58.65 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' LEU . 62.2 mtt180 -35.42 -47.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.526 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 1.3 t80 -64.39 -43.05 95.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CZ3' HD21 ' A' ' 23' ' ' LEU . 57.4 t90 -56.82 -54.05 50.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.492 HD23 ' NE ' ' A' ' 29' ' ' ARG . 48.0 mt -57.55 -41.96 82.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.03 -43.0 66.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.459 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 85.5 t -58.98 -48.38 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 65.9 mm-40 -58.14 -54.86 42.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.4 t70 -58.99 -45.69 89.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASP . 22.9 tp -37.62 -57.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -46.8 -48.46 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -52.45 -45.45 66.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -52.03 141.45 29.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 165.15 31.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.352 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.7 tp -51.51 -30.46 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -67.7 -30.22 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -115.03 12.82 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -76.34 -56.55 1.5 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 -55.91 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.284 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.5 p -40.56 -36.89 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.4 tpp180 -77.89 -47.03 19.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ARG . 38.1 t -32.84 -68.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.43 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 16.3 pt20 -55.78 -47.9 76.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.9 mm-40 -49.26 -62.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.7 mt -49.62 -41.15 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.503 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.74 -19.69 61.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.516 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 25.0 mt-30 -92.45 -2.51 56.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.51 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 22.0 tt0 -98.97 -45.22 6.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD2' ' CB ' ' A' ' 80' ' ' SER . 0.8 OUTLIER -118.02 -40.98 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.503 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 31.6 mt -82.14 17.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.516 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -116.14 151.18 46.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -53.19 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -91.42 53.29 3.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -123.31 155.18 65.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.78 -52.3 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.578 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 11.7 m -85.22 18.01 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 78' ' ' ALA . . . -46.87 104.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.9 pt -91.47 -178.01 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -127.58 131.18 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -122.5 153.4 39.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -58.63 145.68 38.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -47.9 -39.53 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -68.37 -60.51 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 m -52.92 -57.13 11.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -46.53 -56.75 5.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -44.23 -50.78 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -59.32 -55.89 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.5 m -50.89 -62.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 m -41.44 -40.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -72.37 -43.26 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -60.5 -43.85 96.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 97' ' ' LYS . 83.5 t -41.62 -42.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 96' ' ' VAL . 9.3 mptt -32.1 -49.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 98' ' ' GLU . 2.0 pp20? -110.33 112.24 57.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 127.67 14.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.01 -138.87 3.28 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -117.97 -34.58 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -104.09 17.29 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.0 m -54.41 -46.44 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -99.93 17.86 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.89 -42.7 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -64.91 -64.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.9 -46.84 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 51.8 tt0 -51.58 -38.59 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.472 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 26.2 tt0 -71.46 -46.22 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -53.03 -55.37 24.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 47.8 mm -60.18 -42.78 91.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.4 t80 -55.61 -56.14 23.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.0 mtmp? -56.1 -13.59 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.456 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 1.9 tp -94.89 -69.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 62.0 mtm -42.92 -36.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 117' ' ' SER . 13.9 ptmt -48.79 -50.22 35.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.506 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 33.7 t -117.94 15.94 14.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.456 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 11.2 t70 -105.28 -59.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.553 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 12.1 p -94.75 -54.54 3.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.571 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 2.9 t80 -35.22 -49.86 1.21 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.659 0.742 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.553 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.9 Cg_exo -47.94 -55.86 3.63 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.718 2.278 . . . . 0.0 112.375 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -56.79 -42.56 79.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.52 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 7.8 t80 -45.73 -47.96 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 120' ' ' TYR . 5.2 mp -59.29 -43.61 90.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.07 -42.36 89.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.6 t -60.05 142.61 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 8.7 t -64.26 -39.53 94.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.45 -40.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.454 ' CZ ' HD13 ' A' ' 133' ' ' LEU . 3.4 t80 -76.79 -45.98 26.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -59.9 -55.62 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 7.9 pt-20 -40.19 -42.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 32.5 mt -58.9 -50.81 72.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.454 HD13 ' CZ ' ' A' ' 129' ' ' TYR . 11.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -55.45 -49.93 71.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 11' ' ' ARG . 35.6 ttp180 -57.62 -35.63 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.557 HG11 ' CZ3' ' A' ' 15' ' ' TRP . 77.6 t -59.67 -61.1 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' TRP . 2.5 ttpm? -50.49 -47.61 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' LYS . 13.7 mmt-85 -37.02 -32.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CZ3' HG11 ' A' ' 12' ' ' VAL . 11.3 m0 -66.4 -51.06 60.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' A' ' 18' ' ' GLY . . . -43.12 -19.52 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' TRP . 90.2 m-85 -76.44 13.71 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.383 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 16' ' ' GLY . . . 122.54 161.44 11.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.543 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.534 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 26.7 ttp -61.62 -44.09 97.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -37.87 -42.31 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -70.52 -40.77 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -67.43 -35.97 80.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.516 HD22 ' CZ3' ' A' ' 48' ' ' TRP . 58.5 mt -65.8 -53.53 39.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 10.8 pttt -51.82 -30.37 23.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 38.2 m-20 -96.18 143.68 26.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 0.0 110.849 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.629 2.219 . . . . 0.0 112.377 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 94.7 t -62.71 -61.91 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.99 -30.14 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.8 mtp-105 -65.06 -49.94 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 10.7 pt-20 -69.58 -44.62 70.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 19.1 mm100 -50.9 -60.75 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 35.9 t80 -54.64 -40.55 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.5 tp -58.49 -55.48 34.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LEU . 39.0 mttt -36.77 -61.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -49.05 -51.08 33.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 8.0 mp -51.46 -57.68 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -40.67 -46.56 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -56.97 -48.04 79.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.615 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.8 pt-20 -83.61 15.7 3.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.615 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER 50.75 45.7 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.1 m -118.01 -18.55 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 p -41.96 -34.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -46.2 -41.86 13.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -57.93 -54.15 50.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' TRP . 60.2 tp -67.79 -58.28 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LEU . 6.5 mtp-105 -34.4 -41.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.498 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 10.6 t80 -70.61 -46.64 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.516 ' CZ3' HD22 ' A' ' 23' ' ' LEU . 55.0 t90 -50.42 -58.15 6.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.36 -45.08 84.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.61 -41.22 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.33 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.25 -46.83 82.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' LEU . 8.1 m-20 -72.73 -41.11 65.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' ASP . 28.7 tp -36.78 -66.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 0.6 OUTLIER -51.54 -42.13 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -58.9 -37.18 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' NH1' ' HD3' ' A' ' 65' ' ' ARG . 17.9 mmt85 -53.45 149.44 14.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' VAL . 52.9 Cg_endo -69.82 161.71 44.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -52.23 -36.34 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -66.47 -28.91 68.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -115.35 14.64 16.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.508 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -78.94 -58.34 0.71 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.77 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -48.06 -37.3 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' VAL . 7.4 tpt180 -75.42 -45.65 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' ARG . 17.2 t -33.45 -61.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 13.5 pt20 -60.78 -49.88 75.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 60.6 mm-40 -44.35 -62.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.7 mt -48.96 -43.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.568 ' CE3' HG22 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -71.16 -19.57 62.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.518 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 36.3 mt-30 -93.74 -2.61 53.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.1 tp10 -97.37 -47.65 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -117.98 -37.96 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 70' ' ' TRP . 21.1 mt -83.54 17.99 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -116.1 149.55 43.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -53.2 0.28 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.57 43.74 3.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -114.51 154.98 46.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.548 0.69 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.78 -51.73 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 5.8 m -86.0 17.98 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 78' ' ' ALA . . . -45.85 107.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 80' ' ' SER . 11.5 pt -91.95 -178.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -129.54 136.89 50.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 36.8 mt -130.45 171.38 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -70.39 167.72 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.5 t -67.6 -43.98 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -70.03 -42.76 72.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.3 m -68.28 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -42.62 -53.85 4.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -49.53 -61.96 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -44.89 -49.15 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.6 m -60.58 -59.24 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.9 m -38.19 -45.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -70.86 -48.65 52.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -53.39 -40.65 65.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.568 HG22 ' CE3' ' A' ' 70' ' ' TRP . 91.8 t -44.51 -56.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.481 ' N ' ' HE2' ' A' ' 97' ' ' LYS . 0.6 OUTLIER -34.94 -36.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' VAL . 13.6 mt-10 -95.37 106.14 24.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.678 0.751 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 114.03 3.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.88 -150.85 5.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.469 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 41.3 mtm180 -116.09 -37.0 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -109.7 17.81 20.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.6 m -54.78 -33.42 61.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -98.92 18.01 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -52.74 -53.46 47.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -53.67 -60.83 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 110' ' ' HIS . . . -46.97 -60.14 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.496 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 60.1 tt0 -39.82 -39.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -72.66 -40.97 65.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' ALA . 19.9 t60 -57.99 -52.46 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.26 -42.51 95.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 6.1 t80 -54.42 -57.49 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.459 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 44.6 mtmt -55.89 -16.38 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.482 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 0.6 OUTLIER -90.85 -72.75 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.448 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 35.3 mtm -41.02 -43.64 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.9 ptmt -42.05 -46.64 4.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.491 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 32.3 t -117.18 17.51 14.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 114' ' ' LEU . 1.3 t70 -98.55 -64.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.555 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -97.93 -52.51 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.764 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.534 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -32.9 -50.78 0.63 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.945 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.555 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.8 Cg_exo -48.01 -59.85 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mtp-105 -68.07 -43.85 77.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.2 -48.95 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 53.4 mt -56.44 -43.72 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.17 -41.46 98.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.5 t -59.64 136.98 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' ALA . 32.7 t -53.11 -35.46 59.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.05 -42.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.57 ' CE2' HD12 ' A' ' 133' ' ' LEU . 5.7 t80 -68.72 -49.78 56.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' GLU . 39.1 mm-40 -59.9 -38.55 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' GLN . 6.7 mm-40 -35.19 -45.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.63 -50.1 54.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 129' ' ' TYR . 18.5 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.767 0.318 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -66.46 -44.6 82.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -51.95 -45.54 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.52 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 81.3 t -50.15 -59.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -40.33 -40.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -51.8 -42.33 62.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.52 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 5.8 m0 -57.91 -21.76 45.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.83 34.94 1.64 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.553 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 15' ' ' TRP . 32.2 m-85 -141.48 102.39 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.59 -166.85 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' ASP . 8.5 ttp -92.02 -44.26 8.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.77 0.319 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' MET . 2.0 m-20 -36.64 -51.15 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.4 -61.29 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.42 -41.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.591 HD12 ' CH2' ' A' ' 48' ' ' TRP . 8.1 mt -71.07 -50.61 31.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' LEU . 6.6 mtpm? -36.09 -62.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.97 143.65 96.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -50.1 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.7 -43.09 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.38 -26.82 59.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -69.07 -47.24 65.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.743 0.306 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.9 pt-20 -73.04 -46.92 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 40.4 mm-40 -54.84 -57.69 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.507 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 49.7 t80 -55.3 -39.01 69.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.1 tp -60.5 -57.09 14.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 51.3 mttt -34.46 -60.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -46.44 -43.6 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 119' ' ' SER . 56.8 mt -55.24 -60.72 3.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' OE2' ' NH2' ' A' ' 46' ' ' ARG . 62.5 mt-10 -36.86 -41.65 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -57.77 -56.61 19.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -74.29 4.56 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 52.39 44.23 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.442 ' O ' ' OD1' ' A' ' 44' ' ' ASN . 67.3 m -116.91 -24.22 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 43' ' ' GLU . 19.6 p -41.41 -31.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 42' ' ' SER . 5.4 pt-20 -33.29 -38.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.46 ' HB2' ' CG2' ' A' ' 111' ' ' ILE . 0.8 OUTLIER -72.62 -58.53 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -49.51 -46.37 48.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' NH2' ' OE2' ' A' ' 37' ' ' GLU . 15.5 mmt180 -46.49 -59.42 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.582 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.3 t80 -58.46 -44.81 89.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.591 ' CH2' HD12 ' A' ' 23' ' ' LEU . 69.0 t90 -49.91 -49.33 50.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.3 -44.85 74.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.96 -41.82 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' GLU . 60.8 t -58.74 -60.52 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' VAL . 59.1 mm-40 -37.0 -51.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -62.86 -52.35 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 53' ' ' ASP . 63.6 tp -33.03 -49.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -59.59 -47.86 83.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 20.2 mmmt -64.62 -35.63 81.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.28 147.52 13.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 158.73 56.01 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 60' ' ' LYS . 5.5 tp -52.42 -34.45 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' HG23 ' A' ' 59' ' ' ILE . 8.2 ptpp? -64.15 -30.67 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -111.6 13.3 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.501 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.92 -58.58 2.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.78 -52.4 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.4 m -43.28 -34.45 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.5 tpt180 -79.77 -46.63 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' ARG . 36.1 t -33.74 -64.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 21.4 pt20 -61.79 -47.53 84.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 40.0 mm-40 -44.95 -63.53 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.5 mt -49.19 -40.83 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.65 -16.54 59.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.52 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 29.1 mt-30 -92.69 -1.95 56.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -112.99 -35.4 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 18.2 m-85 -115.22 -49.46 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.584 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 52.8 mt -84.03 17.96 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.52 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -116.26 142.65 29.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 111.165 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.34 69.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.312 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.36 6.72 8.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.449 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 75' ' ' ALA . . . -73.92 158.56 85.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.5 Cg_endo -69.75 -49.55 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.476 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 9.8 m -99.71 17.53 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -46.38 102.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.7 pt -80.55 179.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.07 130.67 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mt -129.79 158.34 39.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.412 ' OD2' ' CE1' ' A' ' 110' ' ' HIS . 1.6 m-20 -57.84 165.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.8 t -66.39 -46.05 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -64.71 -41.66 95.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -70.36 -53.12 17.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -56.89 -50.51 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.59 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 3.2 m-20 -50.27 -54.61 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -54.02 -61.41 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.4 m -42.53 -55.74 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 m -48.66 -59.29 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 90' ' ' ASP . 91.5 m-70 -49.11 -30.34 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -84.74 -34.9 22.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.565 HG23 ' CE3' ' A' ' 70' ' ' TRP . 52.2 t -40.87 -65.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -33.01 -36.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 96' ' ' VAL . 5.1 mm-40 -93.52 107.12 24.25 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.696 0.76 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 119.76 6.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.27 -153.39 5.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -116.01 -32.68 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -110.08 17.98 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 77.6 m -56.13 -40.1 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -99.34 17.26 20.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -52.93 -61.43 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -46.93 -55.48 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.99 -51.98 37.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -44.44 -37.32 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 15.2 tt0 -71.23 -49.03 47.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.412 ' CE1' ' OD2' ' A' ' 85' ' ' ASP . 9.2 t60 -49.0 -48.62 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 44' ' ' ASN . 45.7 mm -66.94 -40.9 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 2.3 t80 -55.31 -51.75 65.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.485 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.2 mtmp? -62.43 -10.93 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.516 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -94.83 -64.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.446 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 38.1 mtm -51.09 -30.29 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.7 ptmt -55.56 -45.28 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.487 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.9 t -116.11 17.82 15.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.516 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -106.35 -62.84 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.554 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 74.7 m -95.6 -54.47 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.59 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 17.5 t80 -34.91 -49.98 1.08 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.654 0.74 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 66.2 Cg_exo -48.03 -63.18 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 125' ' ' ARG . 60.7 mtt180 -57.76 -48.55 79.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 73.6 t80 -40.76 -47.51 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 51.0 mm -58.96 -36.93 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.498 ' HD2' ' N ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -75.56 -42.4 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.6 t -55.21 155.41 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.3 m -83.14 -33.73 26.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -36.61 -41.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.524 ' CE2' HD11 ' A' ' 133' ' ' LEU . 8.8 t80 -67.56 -50.13 59.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 131' ' ' GLU . 33.4 mm-40 -59.35 -36.95 76.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 130' ' ' GLN . 13.1 mm-40 -36.95 -51.97 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.456 ' H ' ' CD2' ' A' ' 132' ' ' LEU . 1.7 mm? -64.76 -48.64 73.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.524 HD11 ' CE2' ' A' ' 129' ' ' TYR . 11.1 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.719 0.295 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -60.6 -43.69 97.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -56.75 -49.39 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.501 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 99.5 t -48.32 -59.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' TRP . 3.2 ttpm? -44.24 -45.88 8.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 7.6 tpt85 -37.58 -31.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.501 ' CZ2' ' HA ' ' A' ' 12' ' ' VAL . 4.1 m0 -73.38 -56.72 4.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -36.54 -34.97 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 14' ' ' ARG . 59.1 m-85 -46.7 -44.9 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.607 ' HA2' ' CE1' ' A' ' 120' ' ' TYR . . . 176.38 156.37 15.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' ASP . 28.8 ttp -48.58 -59.77 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' MET . 10.0 m-20 -32.11 -39.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' MET . 5.8 mm-40 -80.62 -59.28 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.95 -36.54 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.521 HD11 ' CH2' ' A' ' 48' ' ' TRP . 46.9 mt -64.59 -56.65 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 2.1 pttt -39.08 -36.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.479 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 13.5 t70 -87.93 140.94 31.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.848 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.77 -46.69 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.79 -47.26 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.61 -28.06 64.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -66.13 -47.95 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.05 -41.19 62.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -56.97 -58.28 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.573 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 50.9 t80 -53.4 -36.49 61.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.2 tp -62.65 -57.46 10.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 36.4 mttm -36.97 -57.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 32.6 t80 -49.33 -54.72 15.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 32' ' ' PHE . 58.2 mt -47.73 -55.84 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' LEU . 18.7 mt-10 -34.3 -42.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 35' ' ' PHE . 15.2 t -57.69 -55.49 34.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.6 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.3 pm0 -80.11 17.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER 49.68 32.37 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 t -105.17 -14.39 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.487 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 86.1 p -42.02 -38.55 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -50.89 -41.41 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -49.02 -51.43 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 46' ' ' ARG . 15.5 tp -77.25 -45.75 25.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 45' ' ' LEU . 8.5 mmm180 -37.32 -61.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.511 ' CZ ' ' HB1' ' A' ' 107' ' ' ALA . 5.8 t80 -52.18 -46.17 65.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.521 ' CH2' HD11 ' A' ' 23' ' ' LEU . 16.6 t90 -52.11 -60.02 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.5 mt -55.34 -45.56 76.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.72 -42.37 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.0 t -70.21 -56.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 5.7 mm-40 -44.13 -44.41 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.3 t70 -80.56 -42.61 22.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 23.4 tp -34.48 -63.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -46.7 -45.59 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 32.3 mmtp -51.73 -42.8 62.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 4.9 mmp_? -51.94 153.31 4.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.09 28.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.293 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.67 -29.87 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.529 ' N ' HG22 ' A' ' 59' ' ' ILE . 15.9 ptpt -69.39 -30.77 68.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -113.14 11.87 18.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.488 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -76.46 -58.96 1.1 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.73 -50.65 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.6 m -44.99 -38.68 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.0 tpt180 -78.2 -45.36 23.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' ARG . 25.1 t -34.62 -63.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 12.2 pt20 -59.6 -52.83 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 7.5 mm-40 -41.79 -58.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.0 mt -51.3 -50.02 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.501 ' HA ' ' HB2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.59 -12.67 61.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.525 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 27.9 mt-30 -94.39 -3.68 49.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -115.31 -37.89 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 30.0 m-85 -111.65 -46.32 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.501 ' HB2' ' HA ' ' A' ' 70' ' ' TRP . 19.8 mt -89.76 21.63 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.525 ' HB2' ' C ' ' A' ' 71' ' ' GLN . . . -118.07 142.83 31.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 111.102 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 153.37 68.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.33 13.23 9.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 75' ' ' ALA . . . -78.9 157.5 76.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.21 3.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.5 p -108.0 17.94 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -49.76 109.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.6 pt -83.41 -179.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -128.59 139.78 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.5 mt -134.68 175.97 9.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.454 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 7.4 t0 -73.7 164.38 26.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -65.15 -42.36 93.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -71.37 -42.88 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -65.86 -58.28 5.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -45.4 -47.64 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.96 -52.02 53.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -53.55 -49.47 67.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.6 m -58.1 -65.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.1 m -37.83 -56.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 17.6 m-70 -59.9 -46.42 89.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -56.52 -40.41 74.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 97' ' ' LYS . 65.7 t -44.4 -44.56 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 96' ' ' VAL . 2.6 mptm? -33.45 -49.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -112.23 114.13 51.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.92 13.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.54 -141.62 3.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -117.43 -35.16 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -109.05 17.96 21.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.9 m -56.07 -37.02 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -99.95 17.25 21.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.36 -53.62 42.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -51.47 -65.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -50.61 -51.33 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.441 ' NE2' ' HG2' ' A' ' 52' ' ' GLU . 52.3 tt0 -49.86 -39.0 37.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.94 -44.18 55.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 64.0 t60 -53.75 -47.54 70.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 48.0 mm -67.14 -49.12 75.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.44 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 69.2 t80 -44.78 -62.21 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 18.1 mtmt -48.52 -36.49 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.0 tp -66.44 -65.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 116' ' ' LYS . 69.4 mtm -43.98 -41.02 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 120' ' ' TYR . 25.3 mtpt -33.63 -67.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 17.3 t -114.25 18.01 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 28.9 t70 -97.97 -68.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.538 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 3.0 p -92.76 -48.48 6.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.607 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 3.4 t80 -36.18 -49.62 1.68 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.538 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.5 Cg_exo -48.06 -56.4 3.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 125' ' ' ARG . 22.6 mmm-85 -55.12 -52.55 62.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 42.6 t80 -36.2 -53.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.47 HD13 ' CZ ' ' A' ' 120' ' ' TYR . 82.1 mt -61.6 -41.24 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 122' ' ' ARG . 19.3 mmm180 -58.27 -49.58 76.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 m -60.59 175.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 128' ' ' ALA . 21.8 m -94.37 -29.81 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.69 -40.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.563 ' CE1' HD11 ' A' ' 133' ' ' LEU . 2.5 t80 -73.26 -48.87 31.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -57.92 -34.87 70.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -38.75 -64.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -48.0 -52.87 18.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 129' ' ' TYR . 17.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' OE1' ' NE2' ' A' ' 10' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.762 0.315 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.413 ' NE2' ' OE1' ' A' ' 9' ' ' GLN . 2.0 mp0 -50.94 -36.44 38.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -72.38 -40.41 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG23 ' CZ3' ' A' ' 15' ' ' TRP . 82.7 t -57.83 -60.46 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . 20.8 tptm -40.91 -43.31 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -45.58 -41.61 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.571 ' CZ3' HG23 ' A' ' 12' ' ' VAL . 3.7 m0 -65.97 -29.25 69.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -77.9 33.27 1.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.421 ' H ' ' C ' ' A' ' 15' ' ' TRP . 11.2 m-85 -117.94 -34.06 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.94 148.37 5.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.4 ttp -38.3 -50.32 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -40.27 -51.97 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.23 -59.39 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.85 -42.87 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.562 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 18.0 mt -65.62 -47.15 76.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -44.92 -51.59 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.93 142.1 72.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.652 0.739 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.254 . . . . 0.0 112.305 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.1 t -65.75 -39.76 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.87 -25.65 67.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -68.57 -48.25 64.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 9.1 pt-20 -71.9 -44.19 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 46.7 mm-40 -52.7 -59.89 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.423 ' CE1' HD22 ' A' ' 36' ' ' LEU . 16.7 t80 -53.77 -36.58 62.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.52 -54.65 36.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -39.57 -54.32 2.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 123' ' ' PHE . 55.0 t80 -51.29 -44.52 61.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 119' ' ' SER . 60.6 mt -55.69 -55.58 30.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -38.66 -46.66 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -54.28 -55.76 25.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.614 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.2 pt-20 -81.28 15.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.614 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 50.55 40.3 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.4 m -117.8 17.29 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.1 p -68.5 -42.65 78.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' ASN . 56.1 mt-10 -40.83 -58.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' GLU . 28.1 m-20 -35.92 -58.63 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 46' ' ' ARG . 44.1 tp -69.63 -56.84 6.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 45' ' ' LEU . 16.8 mtp85 -36.85 -44.81 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.489 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 4.5 t80 -65.34 -56.85 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 10.5 t90 -43.33 -54.59 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.4 mt -53.94 -46.34 71.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.11 -45.23 32.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.451 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 87.4 t -64.67 -50.65 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -44.26 -40.48 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -82.22 -39.59 22.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 48.3 tp -36.63 -65.14 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -51.66 -40.25 59.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -61.52 -39.14 89.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 30.0 mmt180 -53.08 148.24 15.13 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 160.13 50.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 60' ' ' LYS . 6.0 tp -51.19 -31.82 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.456 ' N ' HG21 ' A' ' 59' ' ' ILE . 12.1 ptpt -67.57 -30.09 69.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -115.46 10.61 15.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.12 -58.33 3.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.652 0.739 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.76 -51.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 m -45.27 -34.22 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.5 tpt180 -80.71 -40.56 25.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' ARG . 38.1 t -36.3 -67.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 19.4 pt20 -57.02 -47.06 81.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLN . 61.9 mm-40 -48.88 -68.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.2 mt -43.09 -38.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.531 ' CZ3' ' HA ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -75.35 -31.27 60.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.451 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 41.1 mt-30 -82.18 -2.73 53.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.588 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 23.4 tt0 -95.89 -52.96 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.607 ' CD2' ' HB3' ' A' ' 80' ' ' SER . 0.6 OUTLIER -111.79 -38.19 4.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 70' ' ' TRP . 49.8 mt -82.89 17.99 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 71' ' ' GLN . . . -114.75 144.77 32.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 111.088 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.07 38.91 3.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -108.28 158.02 34.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.607 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 5.6 m -92.78 17.98 9.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.39 109.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 80' ' ' SER . 6.9 pt -91.06 -177.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -126.1 118.35 25.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.3 mt -113.34 159.31 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.16 176.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.0 p -76.04 -38.23 57.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -74.88 -56.04 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 t -53.63 -52.89 58.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.05 -47.13 84.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -57.33 -51.62 68.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -60.94 -45.45 94.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' THR . 91.9 m -62.77 -63.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.531 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 58.8 m -34.68 -54.98 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -60.89 -55.26 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -46.95 -44.44 20.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 104' ' ' PHE . 92.1 t -42.19 -43.13 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' VAL . 22.0 mmtt -35.31 -42.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -104.38 114.74 63.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 129.72 18.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.23 -147.68 4.65 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -115.4 -37.32 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -109.44 17.42 21.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.7 m -53.91 -42.33 68.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 96' ' ' VAL . 87.3 m-85 -95.53 17.91 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -51.61 -57.32 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.03 -64.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.02 -42.6 60.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.451 ' NE2' ' HB ' ' A' ' 51' ' ' VAL . 6.3 tp60 -56.61 -42.61 79.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -68.62 -42.84 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -51.88 -60.17 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.437 HG22 ' CE ' ' A' ' 115' ' ' MET . 46.2 mm -55.13 -44.33 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 5.4 t80 -52.99 -57.85 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.416 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 7.5 mtmp? -55.91 -16.29 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.51 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 2.2 tp -92.72 -68.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.437 ' CE ' HG22 ' A' ' 111' ' ' ILE . 61.2 mtm -41.94 -39.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 117' ' ' SER . 7.0 ptmm? -48.64 -50.14 34.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.511 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 2.8 m -117.34 17.6 14.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.51 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -102.65 -60.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.567 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 18.0 m -96.87 -54.17 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.542 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -33.99 -50.07 0.86 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.567 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.5 Cg_exo -47.97 -63.44 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.353 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 125' ' ' ARG . 26.6 mtt180 -55.12 -50.22 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.476 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 29.7 t80 -38.94 -41.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 42.1 mm -70.48 -37.47 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 122' ' ' ARG . 11.1 mmt180 -57.12 -54.59 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 t -53.43 163.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' GLN . 3.5 m -83.11 -36.34 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -35.86 -47.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.474 ' CE1' HD13 ' A' ' 133' ' ' LEU . 1.8 t80 -64.24 -44.62 91.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' SER . 41.5 mm-40 -60.58 -41.67 95.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.17 -56.16 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 20.1 mt -51.91 -50.51 60.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.474 HD13 ' CE1' ' A' ' 129' ' ' TYR . 2.5 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -62.59 -46.05 90.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t -81.25 157.35 25.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.4 -147.89 4.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 m -151.86 169.08 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -75.97 135.01 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.87 79.48 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.3 m -97.23 -43.97 7.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -50.61 -49.4 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -42.49 96.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 14' ' ' ARG . 37.3 ttm180 -61.67 -47.95 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.544 HG21 ' CZ3' ' A' ' 15' ' ' TRP . 91.2 t -48.72 -55.71 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' GLY . 22.3 tptt -36.48 -46.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 42.1 mmt-85 -43.09 -46.9 5.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.544 ' CZ3' HG21 ' A' ' 12' ' ' VAL . 1.7 m0 -62.35 -29.8 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -71.04 4.33 10.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -97.22 -41.23 8.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 175.42 143.9 4.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' GLY . 38.2 ttp -35.11 -45.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' MET . 19.9 m-20 -36.02 -63.76 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.54 -51.72 68.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.09 -39.24 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD12 ' CH2' ' A' ' 48' ' ' TRP . 13.0 mt -68.67 -49.77 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -60.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -73.15 144.96 85.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.64 -39.72 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.68 -31.03 79.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 42.6 mtt180 -66.55 -48.89 68.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 15.2 pt-20 -72.12 -44.68 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 81.5 mm-40 -52.58 -59.86 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 17.0 t80 -54.97 -37.85 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.4 tp -61.86 -53.92 49.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' LEU . 52.9 mttt -35.13 -59.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -49.98 -42.03 48.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' HB3' ' N ' ' A' ' 42' ' ' SER . 57.8 mt -55.16 -62.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -39.04 -46.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.9 t -54.15 -48.34 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -85.11 12.64 7.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 52.13 39.58 26.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' SER . 51.1 m -114.15 -24.37 9.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.471 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 94.8 p -35.26 -42.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' SER . 7.1 pt-20 -33.79 -46.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.03 -55.38 31.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 46' ' ' ARG . 48.5 tp -64.64 -58.89 5.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' LEU . 16.5 mtp180 -35.54 -48.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.51 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 8.6 t80 -62.43 -49.51 75.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.563 ' CH2' HD12 ' A' ' 23' ' ' LEU . 7.5 t90 -49.13 -62.53 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.7 mt -49.19 -50.44 37.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.47 -39.88 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.436 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 99.4 t -67.69 -58.21 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -45.32 -41.27 8.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -79.95 -40.97 26.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' ASP . 66.8 tp -33.38 -63.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.16 -45.21 43.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 53' ' ' ASP . 7.2 mmpt? -51.44 -43.03 61.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mmp_? -52.36 150.45 8.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 166.84 26.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.228 . . . . 0.0 112.371 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 tp -56.24 -31.3 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -70.6 -32.94 70.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -108.27 9.91 27.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -75.84 -58.74 1.29 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.72 -51.36 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.4 m -44.99 -37.18 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.4 tpt180 -77.52 -45.03 26.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' ARG . 27.2 t -33.25 -67.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 24.0 pt20 -56.71 -47.28 80.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.42 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 59.8 mm-40 -48.93 -62.25 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.7 mt -49.76 -40.57 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.575 ' CE3' HG22 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -73.34 -20.68 60.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.513 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 29.9 mt-30 -93.12 -1.81 56.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 4.7 tp10 -97.49 -47.64 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -117.98 -38.04 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 70' ' ' TRP . 35.6 mt -83.32 18.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.513 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -117.13 150.09 45.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.578 0.704 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -52.64 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.74 48.71 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.419 ' O ' ' HB1' ' A' ' 81' ' ' ALA . . . -119.12 156.11 52.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -52.08 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.543 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 7.6 m -86.57 18.01 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -44.77 106.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 80' ' ' SER . 20.4 pt -89.55 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -132.23 131.0 41.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mt -129.87 157.59 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.25 168.42 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.3 t -68.11 -57.67 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -53.36 -43.78 68.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.8 p -69.16 -59.04 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -48.87 -47.44 42.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.07 -50.74 66.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -56.18 -46.3 79.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.0 m -59.16 -62.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.1 m -40.64 -40.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -70.22 -44.52 68.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -60.65 -43.33 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.575 HG22 ' CE3' ' A' ' 70' ' ' TRP . 92.1 t -43.01 -44.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 96' ' ' VAL . 2.4 mptm? -32.26 -49.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -111.01 112.05 55.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 134.29 27.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.16 -138.46 2.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -117.43 -35.75 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -110.84 17.91 20.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.963 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.9 m -56.67 -39.8 74.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -100.16 17.98 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -56.77 -45.72 81.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -52.93 -63.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.95 -48.07 32.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.552 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 30.3 tt0 -44.88 -38.14 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.485 ' HG3' ' CD ' ' A' ' 113' ' ' LYS . 14.5 tt0 -68.25 -57.34 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -47.51 -60.91 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.47 HG23 ' CE ' ' A' ' 115' ' ' MET . 42.8 mm -54.52 -54.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 2.0 t80 -49.01 -50.96 33.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.485 ' CD ' ' HG3' ' A' ' 109' ' ' GLU . 26.2 mtpt -61.3 -16.56 47.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.496 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 1.9 tp -92.91 -68.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.47 ' CE ' HG23 ' A' ' 111' ' ' ILE . 48.2 mtm -42.5 -39.08 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.537 ' HG3' ' N ' ' A' ' 117' ' ' SER . 5.1 ptmm? -47.73 -49.73 27.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.537 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 2.8 m -117.76 17.13 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.496 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -102.1 -61.47 1.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.568 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 14.7 m -97.04 -53.32 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.526 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 2.8 t80 -34.56 -49.86 0.99 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.692 0.758 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.568 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.4 Cg_exo -47.94 -55.67 3.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 125' ' ' ARG . 94.8 mtt-85 -54.37 -47.16 72.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 4.1 t80 -40.27 -44.23 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.431 HD12 ' CZ ' ' A' ' 120' ' ' TYR . 5.3 mp -68.75 -37.52 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 122' ' ' ARG . 15.7 mmm180 -64.33 -47.9 77.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t -64.94 176.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.1 t -96.65 -31.06 12.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -36.68 -44.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.57 ' CE1' HD12 ' A' ' 133' ' ' LEU . 0.8 OUTLIER -67.88 -47.62 68.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -56.56 -38.98 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -38.94 -59.83 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.449 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . 2.0 mm? -48.37 -56.19 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.57 HD12 ' CE1' ' A' ' 129' ' ' TYR . 24.8 mt -43.56 -57.95 2.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.1 t -68.92 -66.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.51 95.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 78.84 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.0 m -165.59 158.33 15.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.1 p -63.47 122.13 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.528 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 m 62.38 43.35 8.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -74.45 -47.21 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.54 -124.6 27.29 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 m -136.58 112.41 9.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -47.26 -53.31 13.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.05 111.07 0.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -85.44 -43.67 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -44.77 -48.08 10.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -67.13 -50.64 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -49.41 -46.06 47.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.0 t -48.79 -60.76 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -45.98 -34.86 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -46.86 -34.8 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.435 ' C ' ' H ' ' A' ' 17' ' ' PHE . 4.5 m0 -69.73 -28.49 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.65 28.33 1.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.435 ' H ' ' C ' ' A' ' 15' ' ' TRP . 14.9 m-85 -116.59 16.3 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 117.11 138.38 6.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' GLY . 18.5 ttp -34.2 -47.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' MET . 7.8 p-10 -37.29 -53.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.78 -63.04 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.24 -51.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' LYS . 36.2 mt -54.74 -56.21 21.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' LEU . 21.7 mttm -38.11 -58.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.94 143.96 87.24 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.274 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.77 -50.2 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.86 -29.52 42.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.515 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -67.55 -49.68 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.7 pt-20 -71.64 -44.52 64.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 85.1 mm-40 -57.11 -59.58 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 24.2 t80 -52.95 -35.17 58.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.8 tp -64.42 -54.05 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . 60.7 mttt -34.52 -55.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -54.96 -50.54 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD23 ' CZ ' ' A' ' 32' ' ' PHE . 40.9 mt -43.05 -54.61 4.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -43.65 -44.29 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.2 t -57.08 -47.28 81.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -84.87 10.61 11.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 52.65 39.49 28.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' SER . 78.1 p -113.67 -21.2 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.476 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 76.1 p -37.21 -46.28 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 44' ' ' ASN . 9.3 pt-20 -39.97 -45.5 1.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 11.5 m-20 -53.28 -48.51 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' ARG . 17.4 tp -72.91 -52.8 13.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' LEU . 25.7 mmt180 -36.52 -48.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.511 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 3.0 t80 -64.08 -49.39 72.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 50.1 t90 -47.45 -60.6 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.5 mt -53.65 -44.69 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.41 -43.73 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.439 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 91.8 t -65.76 -47.53 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 6.3 mm-40 -50.66 -41.36 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' LYS . 7.1 m-20 -79.76 -40.78 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' ASP . 54.6 tp -35.67 -61.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.49 -41.3 40.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ASP . 7.4 mmpt? -60.43 -40.37 90.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 6.5 mmp_? -52.91 149.25 12.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 163.27 38.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 60' ' ' LYS . 7.2 tp -55.85 -29.73 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.437 ' N ' HG22 ' A' ' 59' ' ' ILE . 7.7 ptpt -68.28 -31.4 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -113.85 11.62 17.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.497 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.0 t -74.73 -58.79 1.62 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.78 -52.72 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.2 m -43.31 -35.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' VAL . 17.0 mmt-85 -78.96 -39.4 34.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ARG . 53.7 t -33.08 -68.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.5 pt20 -58.27 -48.55 80.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 54.2 mm-40 -44.18 -62.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.0 mt -48.43 -44.19 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -72.34 -20.55 61.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.489 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 35.1 mt-30 -92.09 -3.94 55.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.511 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 3.0 tp10 -96.44 -47.16 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.4 OUTLIER -118.0 -39.42 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' TRP . 16.9 mt -82.19 18.05 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -114.69 151.52 45.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.542 0.687 . . . . 0.0 111.106 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -53.15 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.56 50.82 2.65 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.17 156.56 50.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -52.84 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.554 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 8.9 m -87.5 17.86 4.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.21 103.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 80' ' ' SER . 6.3 pt -91.71 -178.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -130.2 141.7 50.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 mt -133.26 175.48 9.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -76.52 166.75 22.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 p -67.88 -41.23 83.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -65.65 -41.11 92.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.1 p -75.74 -55.55 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -48.39 -54.24 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.82 -42.19 62.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -64.76 -57.96 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.6 m -53.77 -61.54 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.45 HG22 ' CH2' ' A' ' 70' ' ' TRP . 6.0 m -39.26 -44.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -70.45 -49.85 44.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -52.87 -47.7 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 97' ' ' LYS . 88.4 t -37.99 -43.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 96' ' ' VAL . 39.2 mmtt -36.28 -44.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -102.69 116.61 62.41 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.613 0.721 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 113.2 3.3 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.36 -165.26 10.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -97.91 -53.08 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -88.54 17.64 5.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.1 m -54.36 -48.59 71.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -93.85 16.58 13.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -54.8 -49.35 71.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -60.4 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.78 -43.95 48.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.454 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 52.1 tt0 -52.28 -36.25 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.88 -43.4 62.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -54.5 -57.69 10.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.22 -41.66 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -54.29 -59.13 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 42.7 mtmt -54.4 -17.13 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.3 tp -91.57 -67.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.7 mtm -44.92 -37.94 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 117' ' ' SER . 10.2 ptmm? -51.39 -47.97 62.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.523 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 7.1 m -116.89 15.63 15.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' LEU . 0.9 OUTLIER -105.3 -60.2 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.599 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 2.7 m -95.54 -54.36 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.548 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 0.7 OUTLIER -35.83 -48.41 1.42 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.697 0.76 . . . . 0.0 110.936 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.599 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.0 Cg_exo -48.0 -62.12 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.366 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -58.06 -48.47 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 43.7 t80 -40.68 -43.03 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.58 -40.92 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -58.8 -49.65 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.5 t -54.44 168.55 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 1.9 t -90.88 -36.04 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -35.84 -40.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.494 ' CE1' HD12 ' A' ' 133' ' ' LEU . 2.8 t80 -70.72 -52.41 21.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 131' ' ' GLU . 29.9 mm-40 -53.54 -33.76 55.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 62.8 mm-40 -36.59 -65.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.36 -51.47 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.494 HD12 ' CE1' ' A' ' 129' ' ' TYR . 56.3 mt -54.96 -62.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 44.7 t -60.94 -66.28 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 137' ' ' SER . . . 81.72 138.4 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 14.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 135' ' ' GLY . 3.7 m -42.25 -54.7 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.5 t -62.87 173.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -154.56 130.43 10.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 t -88.21 -53.7 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.14 64.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t -90.81 -43.32 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -55.83 127.8 31.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.67 -58.11 0.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.535 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.6 t -40.74 -41.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' CD ' ' O ' ' A' ' 133' ' ' LEU . 49.1 tt0 -38.42 -41.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.57 -44.77 70.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -62.52 -42.54 99.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.533 HG13 ' CE3' ' A' ' 15' ' ' TRP . 87.0 t -53.88 -39.25 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ARG . 29.2 tptt -55.95 -51.55 67.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LYS . 9.0 mmt-85 -37.23 -37.88 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.533 ' CE3' HG13 ' A' ' 12' ' ' VAL . 6.6 m0 -62.79 -51.32 67.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 18' ' ' GLY . . . -40.21 -23.07 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' TRP . 94.1 m-85 -76.28 12.4 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.898 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.509 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 115.45 159.78 12.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.577 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 6.8 ttp -54.89 -37.69 66.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -36.72 -48.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.25 -52.08 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.15 -55.26 8.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD11 ' CH2' ' A' ' 48' ' ' TRP . 47.9 mt -49.12 -48.36 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -52.46 -45.92 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 2.8 t70 -83.46 142.71 43.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.8 Cg_endo -69.76 -46.55 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 0.0 112.392 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.14 -48.15 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.98 -28.3 60.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -69.1 -48.89 61.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 8.2 pt-20 -69.67 -42.66 73.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 94.3 mm-40 -55.73 -56.72 17.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' CE2' HD22 ' A' ' 36' ' ' LEU . 26.1 t80 -55.1 -33.37 62.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.4 tp -67.13 -51.36 54.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 65.6 mttt -34.87 -60.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -54.74 -52.4 62.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.581 HD22 ' CE2' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -45.12 -55.09 6.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -51.9 -34.99 43.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 t -64.25 -49.62 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -84.11 13.07 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 53.73 43.46 31.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 p -114.53 -18.76 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.9 p -39.86 -37.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 80' ' ' SER . 6.6 pt-20 -38.89 -40.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' C ' ' SD ' ' A' ' 115' ' ' MET . 3.3 m-20 -66.08 -53.08 42.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' N ' ' SD ' ' A' ' 115' ' ' MET . 52.4 tp -67.49 -60.41 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LEU . 49.7 mtt180 -34.93 -42.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 23.1 t80 -68.69 -47.88 65.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.534 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 40.5 t90 -48.35 -57.76 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.3 mt -57.54 -45.94 84.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.91 -44.62 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.458 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 76.6 t -71.3 -51.8 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 37.2 mm-40 -41.23 -42.93 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 56' ' ' LYS . 30.1 t70 -81.06 -39.57 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 62.2 tp -33.6 -59.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -42.76 58.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 53' ' ' ASP . 26.5 mmtt -60.27 -40.44 90.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -52.0 146.36 15.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 165.07 32.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 tp -54.03 -29.21 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -33.83 72.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -110.37 12.22 23.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.478 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -77.15 -59.63 0.87 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.624 0.726 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.0 Cg_endo -69.79 -54.08 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 p -43.94 -35.19 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.472 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 2.9 tpt180 -76.74 -42.92 39.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' ARG . 42.8 t -34.42 -62.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 19.9 pt20 -63.4 -50.19 70.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' GLN . 31.9 mm-40 -40.08 -68.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -44.41 -47.5 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.514 ' CE3' ' CB ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.23 -24.14 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.549 ' C ' ' HB3' ' A' ' 75' ' ' ALA . 21.9 mt-30 -81.78 -8.56 59.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 26.9 tt0 -106.36 -51.03 3.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.592 ' C ' ' H ' ' A' ' 75' ' ' ALA . 10.0 m-85 -98.07 -65.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 104' ' ' PHE . 26.7 mt -67.86 18.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.592 ' H ' ' C ' ' A' ' 73' ' ' PHE . . . -115.23 141.61 27.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.131 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.64 52.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.23 . . . . 0.0 112.374 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.88 14.97 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' GLU . . . -81.66 158.43 68.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.7 -47.16 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.286 . . . . 0.0 112.342 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.2 m -100.31 17.97 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -48.82 117.64 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' CD1' HD12 ' A' ' 111' ' ' ILE . 15.0 pt -103.09 179.63 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -125.05 135.06 52.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.2 mt -122.51 176.11 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 8.8 t0 -72.62 164.58 26.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 m -62.52 -39.87 94.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.6 OUTLIER -76.83 -46.21 25.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 31.6 m -61.18 -58.72 7.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -51.67 -56.63 12.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -52.04 -53.86 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -56.48 -40.26 74.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' ASN . 99.4 m -66.02 -63.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' THR . 20.3 m -34.95 -44.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -72.01 -44.84 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.5 m-20 -58.46 -39.39 79.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.6 t -40.94 -55.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -34.86 -36.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' VAL . 12.4 mt-10 -96.04 105.13 19.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.657 0.741 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 54.4 Cg_endo -69.76 116.65 4.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.0 -151.32 5.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -114.28 -36.13 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -106.07 18.03 22.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.3 m -56.06 -42.08 76.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 74' ' ' LEU . 81.1 m-85 -97.74 17.4 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -50.05 -56.97 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -49.03 -59.15 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -50.84 -52.9 36.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.534 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 40.3 tt0 -48.89 -38.64 23.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -73.92 -42.8 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 45.0 t60 -58.11 -44.77 87.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.457 HG22 ' CE ' ' A' ' 115' ' ' MET . 48.2 mm -66.84 -44.79 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.0 t80 -53.63 -52.03 61.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.463 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 44.4 mtmt -61.99 -14.2 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.45 HD13 ' CG ' ' A' ' 118' ' ' ASP . 0.6 OUTLIER -92.27 -68.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.461 ' SD ' ' N ' ' A' ' 45' ' ' LEU . 44.8 mtm -47.86 -34.28 8.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -53.85 -46.09 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.5 t -111.59 14.77 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.45 ' CG ' HD13 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -107.04 -62.83 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.497 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 23.8 m -92.05 -52.12 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.1 t80 -37.58 -49.88 2.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.698 0.761 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 120' ' ' TYR . 63.8 Cg_exo -47.93 -65.47 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.64 2.227 . . . . 0.0 112.372 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' ARG . 60.9 mtm-85 -62.45 -51.94 65.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -37.9 -40.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.3 mt -70.51 -40.83 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 122' ' ' ARG . 10.3 mmt85 -58.34 -45.37 88.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 m -64.12 148.89 48.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 130' ' ' GLN . 75.6 m -60.0 -32.6 71.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.73 -38.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -76.01 -45.08 36.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 131' ' ' GLU . 48.3 mm-40 -60.5 -38.82 85.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 130' ' ' GLN . 14.5 mt-10 -35.69 -54.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.35 -51.21 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.454 ' O ' ' CD ' ' A' ' 9' ' ' GLN . 26.7 mt -54.61 -60.24 3.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.7 t -59.01 -56.73 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -140.53 91.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 94.1 p -142.1 106.05 4.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 68.1 p -90.0 -44.19 10.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -150.79 121.33 7.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 t -109.45 156.0 20.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.09 -61.34 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -106.14 167.91 9.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -121.63 171.34 8.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.47 -50.58 0.51 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -57.5 -44.89 85.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -48.23 -48.46 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -63.34 -43.87 96.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -59.15 -38.56 79.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.528 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 99.5 t -62.52 -55.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -43.75 -44.42 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 6.4 mmm180 -47.04 -43.42 19.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.528 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 11.3 m0 -54.36 -29.57 48.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.86 25.56 2.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.444 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 14.3 m-85 -117.72 16.27 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 118.8 143.45 7.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 20' ' ' ASP . 7.3 ttp -37.84 -43.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' MET . 25.1 m-20 -33.85 -59.18 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' ALA . 75.3 mm-40 -63.02 -60.77 2.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -35.29 -39.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.546 HD11 ' CH2' ' A' ' 48' ' ' TRP . 12.2 mt -76.28 -47.47 23.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.4 mttm -38.39 -63.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.47 147.85 90.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.724 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.325 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.38 -37.97 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.51 -28.14 71.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -68.35 -48.4 64.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.9 pt-20 -71.97 -45.61 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 54.3 mm-40 -53.77 -58.96 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.512 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 9.5 t80 -55.23 -34.81 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LYS . 3.3 tp -63.3 -54.2 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LEU . 63.5 mttt -37.05 -56.4 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -52.44 -50.16 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.512 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 52.5 mt -46.99 -58.13 4.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -42.23 -48.92 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -54.66 -44.01 72.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.56 13.56 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 52.35 39.2 26.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.8 m -112.22 -20.49 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -39.29 -44.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -39.15 -44.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -57.4 -56.17 25.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' TRP . 41.8 tp -60.65 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 45' ' ' LEU . 22.3 mtp85 -34.77 -49.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.515 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 30.1 t80 -63.25 -41.91 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.546 ' CH2' HD11 ' A' ' 23' ' ' LEU . 31.9 t90 -59.82 -56.15 25.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -58.78 -45.22 90.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.97 -42.41 17.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.449 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 92.9 t -66.1 -47.31 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.477 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 24.9 mm-40 -54.41 -49.51 69.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -71.72 -40.3 69.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -38.54 -43.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -60.93 -50.31 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -54.32 -39.42 67.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -52.16 145.9 17.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 160.31 50.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 tp -52.84 -30.26 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -67.05 -29.17 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -113.58 12.7 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.506 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -73.03 -58.54 2.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.72 -51.28 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 m -43.18 -36.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' VAL . 3.8 tpt180 -80.03 -47.44 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' ARG . 36.0 t -33.64 -64.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 5.8 pt20 -60.1 -47.93 83.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.431 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 54.9 mm-40 -46.36 -64.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.4 mt -46.22 -47.36 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.553 ' CE3' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -70.57 -22.63 62.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.542 ' C ' ' HB1' ' A' ' 75' ' ' ALA . 25.3 mt-30 -84.28 -7.27 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 4.0 tp10 -108.75 -49.61 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' C ' ' H ' ' A' ' 75' ' ' ALA . 13.3 m-85 -98.09 -66.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 84' ' ' LEU . 30.8 mt -69.04 18.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.573 ' H ' ' C ' ' A' ' 73' ' ' PHE . . . -115.53 139.84 25.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 161.3 46.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.324 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.32 15.37 1.12 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -84.94 158.43 58.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.711 . . . . 0.0 111.08 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -47.74 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.252 . . . . 0.0 112.275 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -98.14 17.96 17.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -51.26 122.67 8.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.068 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.4 pt -108.13 179.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -126.28 136.65 53.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 74' ' ' LEU . 20.5 mt -126.73 177.7 6.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.465 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 5.5 t0 -75.36 151.11 38.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.2 p -47.94 -36.85 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -72.71 -66.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -46.94 -53.62 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -52.93 -63.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -45.92 -52.98 10.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -56.18 -60.26 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 95' ' ' ASN . 93.4 m -48.11 -63.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' THR . 24.2 m -34.7 -43.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -74.07 -43.97 55.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 92' ' ' THR . 2.5 m-20 -59.33 -40.31 85.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.553 HG23 ' CE3' ' A' ' 70' ' ' TRP . 84.8 t -39.76 -58.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -33.85 -37.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 96' ' ' VAL . 11.1 mt-10 -94.24 106.37 22.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 114.38 3.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.97 -165.72 13.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -97.41 -50.0 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -88.22 17.78 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.8 m -53.22 -55.09 27.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -92.19 17.58 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -43.78 -43.62 6.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -65.56 -63.74 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.96 -46.6 16.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.477 ' NE2' ' HG2' ' A' ' 52' ' ' GLU . 50.4 tt0 -50.83 -41.33 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 17.6 tt0 -72.57 -47.21 49.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 75.5 t60 -48.12 -55.71 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.462 HG21 ' CE ' ' A' ' 115' ' ' MET . 46.0 mm -59.15 -41.13 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 4.7 t80 -55.25 -54.82 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.455 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 21.9 mtmt -56.95 -16.27 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 118' ' ' ASP . 0.9 OUTLIER -91.62 -72.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.462 ' CE ' HG21 ' A' ' 111' ' ' ILE . 32.8 mtm -45.02 -39.0 5.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -45.18 -47.63 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.491 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 3.0 m -117.61 16.83 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -104.89 -61.76 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.521 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 35.5 m -92.59 -54.08 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.521 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 3.1 t80 -34.07 -51.31 0.91 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.704 0.764 . . . . 0.0 110.952 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.521 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.1 Cg_exo -47.94 -56.54 3.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -52.23 -42.07 63.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -44.06 -41.52 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.505 HD12 ' CE1' ' A' ' 120' ' ' TYR . 4.7 mp -70.1 -36.23 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -68.27 -46.41 70.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 63.5 p -63.48 176.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 41.1 m -98.87 -32.31 11.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.82 -46.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.85 -46.87 80.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -59.62 -40.22 86.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -39.39 -55.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.74 -50.65 65.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.0 mt -48.82 -55.85 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.6 t -55.94 -51.95 65.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -174.93 120.27 0.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.12 37.69 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 65.3 p -105.26 118.5 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.0 t -88.52 -47.29 8.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -40.1 -59.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -158.86 155.56 28.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.49 156.14 23.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 m -128.97 144.03 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 p -92.78 -48.49 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.87 117.53 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.2 t -100.92 -38.05 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -42.08 -42.69 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.57 -44.53 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' NE ' ' OD1' ' A' ' 25' ' ' ASP . 41.5 ttt180 -59.88 -41.02 90.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG12 ' CE3' ' A' ' 15' ' ' TRP . 74.6 t -56.2 -56.83 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 14' ' ' ARG . 23.3 tptm -40.34 -56.42 2.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' LYS . 3.3 mmt180 -35.26 -37.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CE3' HG12 ' A' ' 12' ' ' VAL . 10.8 m0 -65.76 -56.38 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -33.39 -43.97 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -44.55 -48.3 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.487 ' C ' ' CE2' ' A' ' 120' ' ' TYR . . . 172.09 164.5 27.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.567 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 22.1 ttp -47.93 -52.15 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 19' ' ' MET . 33.7 t0 -32.04 -59.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 16.1 mp0 -56.88 -62.09 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -42.33 -51.47 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.581 HD11 ' CH2' ' A' ' 48' ' ' TRP . 87.3 mt -46.54 -55.91 6.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 6.3 mptp? -38.7 -53.2 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.487 ' OD1' ' NE ' ' A' ' 11' ' ' ARG . 18.6 t70 -80.25 142.21 54.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.637 0.732 . . . . 0.0 110.852 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.78 -46.83 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 98.4 t -62.81 -61.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -43.74 -28.59 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 18.0 mtm180 -68.49 -44.72 74.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 6.5 pt-20 -71.93 -38.07 69.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -56.43 -60.33 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CE1' HD21 ' A' ' 36' ' ' LEU . 7.3 t80 -53.1 -36.67 60.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.6 tp -62.62 -54.57 37.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 33.0 mttm -34.93 -59.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -48.8 -50.36 34.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 32' ' ' PHE . 44.3 mt -46.84 -58.69 3.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 42.6 mt-10 -35.73 -46.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.2 m -55.3 -53.49 55.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' CD ' ' HB2' ' A' ' 41' ' ' SER . 4.1 pt-20 -78.39 8.58 4.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 52.91 36.52 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.409 ' HB2' ' CD ' ' A' ' 39' ' ' GLU . 48.9 m -117.93 17.79 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.2 p -66.06 -33.34 75.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -42.15 -54.07 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -40.59 -59.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' TRP . 58.0 tp -68.56 -57.33 5.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LEU . 8.3 mtp180 -34.95 -42.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.534 ' CE1' ' CG2' ' A' ' 51' ' ' VAL . 2.6 t80 -70.84 -46.39 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.581 ' CH2' HD11 ' A' ' 23' ' ' LEU . 26.6 t90 -48.25 -61.15 2.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.6 -46.01 70.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.59 -43.16 46.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.534 ' CG2' ' CE1' ' A' ' 47' ' ' PHE . 72.8 t -65.98 -60.27 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' OE1' ' CZ3' ' A' ' 48' ' ' TRP . 6.6 mt-10 -36.5 -40.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 54' ' ' LEU . 40.5 m-20 -75.22 -41.24 58.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' VAL . 68.9 tp -33.15 -65.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -47.96 62.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -51.49 -39.72 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -56.03 152.59 20.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.821 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 163.43 38.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.54 HG21 ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -55.06 -30.87 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.54 ' N ' HG21 ' A' ' 59' ' ' ILE . 3.4 ptmm? -70.81 -31.51 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -107.57 11.16 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.501 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -74.65 -58.83 1.65 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.79 -49.71 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 m -47.37 -37.1 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' VAL . 22.0 mmm-85 -80.34 -44.35 19.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' ARG . 11.9 t -33.32 -63.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 25.4 pt20 -58.79 -51.22 70.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 6.0 mm-40 -45.08 -65.77 0.49 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.1 mt -47.39 -43.97 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -70.79 -25.04 62.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.499 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 30.9 mt-30 -88.42 -2.83 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 17.4 tt0 -95.63 -47.66 6.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -118.02 -37.99 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.561 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 40.0 mt -82.88 18.04 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -116.58 149.08 43.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 111.085 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -52.35 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.367 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.05 39.73 3.11 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.7 154.45 42.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 111.096 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.584 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.5 m -87.33 18.02 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -44.89 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.3 pt -84.96 -177.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -125.09 136.05 53.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.6 mt -126.1 171.26 10.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.86 144.47 43.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 76.9 p -45.27 -40.42 7.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -72.27 -60.87 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.7 m -50.26 -59.83 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -45.22 -50.04 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.31 -56.97 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -54.75 -58.85 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 93' ' ' THR . 32.6 m -48.93 -59.48 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' THR . 33.8 m -36.89 -52.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -66.41 -54.84 19.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -44.57 -45.47 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.52 HG23 ' CE3' ' A' ' 70' ' ' TRP . 95.6 t -43.7 -46.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 96' ' ' VAL . 24.1 mmtm -34.5 -46.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.36 116.86 64.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.94 26.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.2 -159.11 9.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -106.28 -37.88 6.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -104.88 17.85 23.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.8 m -54.03 -47.7 71.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -97.1 17.84 16.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.32 -47.06 55.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.14 -59.9 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.34 -60.73 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.521 ' HA ' ' CE2' ' A' ' 47' ' ' PHE . 36.3 tt0 -43.87 -46.33 7.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' TYR . 33.6 tt0 -65.38 -53.8 38.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -39.18 -46.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.3 mm -63.97 -37.4 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.3 t80 -59.23 -56.26 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.479 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -58.93 -11.31 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.505 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 0.9 OUTLIER -93.09 -71.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.403 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 24.6 mtm -44.19 -39.42 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 117' ' ' SER . 5.0 ptmm? -44.71 -47.73 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.51 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.4 p -116.86 13.14 14.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.505 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -104.48 -64.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.512 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 38.7 m -94.19 -53.16 4.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.3 t80 -35.21 -50.86 1.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.713 0.768 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.512 ' HD2' ' C ' ' A' ' 119' ' ' SER . 63.9 Cg_exo -47.89 -54.16 5.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -56.05 -34.41 65.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.46 -49.09 68.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 120' ' ' TYR . 4.9 mp -61.72 -53.26 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -51.9 -46.38 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.6 p -60.02 153.71 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 128' ' ' ALA . 3.0 m -73.84 -41.85 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.82 -40.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.566 ' CE2' HD13 ' A' ' 133' ' ' LEU . 38.6 t80 -69.94 -54.71 12.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 131' ' ' GLU . 35.0 mm-40 -53.96 -46.06 71.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 9.2 mm-40 -35.88 -45.05 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 27.0 mt -66.54 -53.02 39.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 129' ' ' TYR . 15.2 mt -50.31 -50.94 49.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.2 t -70.27 -55.78 8.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.82 92.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -42.86 3.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.357 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.6 m -60.18 142.06 54.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.1 t -116.68 17.99 15.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 m -114.72 118.02 32.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -42.8 -44.22 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.02 -165.35 33.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -127.85 162.81 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.366 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 m -135.29 142.68 45.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.828 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.3 84.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -90.59 -44.84 9.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -43.69 -46.25 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -67.22 -41.81 85.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.33 -42.54 66.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.41 -59.28 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -43.65 -43.06 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -41.54 -38.18 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' GLY . 9.1 m0 -67.93 -46.73 70.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -36.15 -43.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.491 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -48.47 -53.72 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.512 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 179.89 171.32 42.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 20' ' ' ASP . 7.0 ttp -54.91 -43.16 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 19' ' ' MET . 1.1 m-20 -31.98 -46.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 23' ' ' LEU . 71.9 mm-40 -78.01 -65.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -36.43 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' GLU . 80.6 mt -79.03 -54.63 5.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -44.97 -34.64 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.42 146.26 31.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.577 0.703 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.84 -47.84 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.11 -28.98 51.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' NE ' HD22 ' A' ' 49' ' ' LEU . 42.4 mtp180 -67.74 -50.98 54.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.755 0.312 . . . . 0.0 110.829 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.3 pt-20 -71.3 -47.46 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 91.2 mm-40 -51.67 -59.69 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CE1' HD21 ' A' ' 36' ' ' LEU . 15.9 t80 -52.72 -38.24 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -63.07 -55.89 21.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HE3' ' NE2' ' A' ' 31' ' ' GLN . 7.9 mtmp? -34.32 -55.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' A' ' 123' ' ' PHE . 50.8 t80 -52.64 -50.46 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 32' ' ' PHE . 25.5 mt -44.11 -53.94 5.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' LEU . 49.7 mt-10 -36.49 -46.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 3.7 m -56.86 -52.25 65.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -83.41 14.79 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 52.17 42.49 30.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' SER . 26.9 t -114.11 -16.5 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.477 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 85.9 p -34.56 -40.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' ASN . 6.1 pt-20 -57.03 -54.81 42.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' GLU . 11.3 m-20 -36.99 -43.44 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' ARG . 14.2 tp -84.24 -55.97 3.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' LEU . 23.1 mtp180 -36.99 -42.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.526 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 13.9 t80 -66.2 -46.94 75.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.558 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 43.0 t90 -51.48 -62.2 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.48 HD22 ' NE ' ' A' ' 29' ' ' ARG . 83.4 mt -48.9 -48.22 42.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.66 -56.67 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.1 t -54.4 -49.02 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE2' ' CH2' ' A' ' 48' ' ' TRP . 20.5 mt-10 -47.4 -45.79 25.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 63.0 m-20 -74.8 -40.25 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 62.9 tp -32.73 -66.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 5.7 ptpt -50.61 -42.21 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 45.8 mmtt -57.87 -40.79 81.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 57' ' ' ARG . 4.6 mmp_? -53.18 154.61 5.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 157.76 59.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -48.38 -45.53 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 59' ' ' ILE . 4.7 ptpt -59.06 -28.47 66.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -108.15 16.74 23.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.48 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.2 t -79.27 -60.13 0.56 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 0.0 111.177 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.78 -51.63 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.0 m -43.89 -37.99 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 11.6 tpp180 -79.12 -43.94 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' ARG . 25.8 t -33.86 -66.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 8.2 pt20 -59.45 -48.3 82.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 47.0 mm-40 -46.66 -63.3 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.3 mt -49.07 -40.73 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.182 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.462 ' O ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -74.66 -17.47 60.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 24.6 mt-30 -93.06 -3.37 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 2.7 tp10 -99.27 -45.98 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -118.0 -37.98 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 70' ' ' TRP . 16.7 mt -85.33 17.97 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.507 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -113.12 150.58 43.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.563 0.697 . . . . 0.0 111.118 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -53.58 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.27 46.53 2.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.453 ' O ' ' HB1' ' A' ' 81' ' ' ALA . . . -115.34 155.24 47.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.54 0.686 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.1 Cg_endo -69.75 -53.02 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.512 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 12.9 m -84.52 18.03 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -47.13 109.78 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 80' ' ' SER . 6.6 pt -95.33 -177.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -130.1 126.72 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.77 162.91 16.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -53.48 158.18 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -53.06 -55.67 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -69.24 -43.56 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.467 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 67.1 m -51.6 -53.36 39.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -57.51 -49.92 74.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -53.13 -44.54 67.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -66.2 -48.44 70.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.3 m -58.46 -56.74 18.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.7 m -45.65 -44.3 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -69.16 -45.16 70.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -58.77 -45.42 89.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 97' ' ' LYS . 91.9 t -42.76 -44.03 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' VAL . 27.9 mmtp -35.16 -46.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.02 116.23 63.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.89 24.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.09 -155.86 7.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.438 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 43.3 mtt180 -109.83 -38.0 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -105.2 17.86 23.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.0 m -56.07 -50.79 70.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 76.6 m-85 -90.26 17.91 6.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -54.1 -44.87 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.21 -60.38 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.1 -52.13 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.558 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 57.2 tt0 -48.2 -40.18 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -67.58 -48.11 67.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -52.41 -64.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 48.5 mm -52.35 -38.39 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.433 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 68.2 t80 -56.37 -62.62 1.6 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 37.6 mtmt -54.85 -26.1 33.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.488 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 0.5 OUTLIER -69.37 -70.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 116' ' ' LYS . 59.2 mtm -40.82 -37.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 115' ' ' MET . 18.4 mtpp -34.09 -70.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.418 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 3.5 m -107.48 18.03 22.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.488 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -97.92 -68.89 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.525 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -94.32 -51.91 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.512 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 0.9 OUTLIER -32.9 -51.42 0.64 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.914 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.525 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.7 Cg_exo -47.91 -59.3 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 123' ' ' PHE . 35.6 mtt180 -58.27 -51.94 67.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.452 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 16.1 t80 -36.97 -49.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.0 mt -64.92 -47.75 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -46.01 -51.02 14.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.3 t -60.05 140.51 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' ALA . 57.8 m -57.93 -36.05 71.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.79 -40.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' A' ' 133' ' ' LEU . 11.0 t80 -73.15 -52.15 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 131' ' ' GLU . 45.0 mm-40 -53.99 -42.66 69.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.1 mt-10 -35.86 -55.03 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.95 -55.28 34.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' A' ' 129' ' ' TYR . 10.3 mt -43.3 -60.16 1.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.9 t -53.66 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -178.02 121.84 0.79 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 170.54 16.28 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.374 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.4 t -48.27 -60.3 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.6 t -69.94 -60.74 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -42.52 -46.19 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 p -83.56 131.97 34.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.21 -99.22 0.11 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -86.79 -53.67 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -151.37 136.19 17.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.14 42.89 1.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -67.3 -44.41 79.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -44.07 -44.95 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -47.76 84.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -59.18 -40.26 85.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.531 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 55.9 t -54.98 -60.22 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -45.03 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 44.8 mtt180 -52.68 -50.11 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.531 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 14.2 m0 -45.6 -28.37 0.95 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.68 29.32 2.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 22.5 m-85 -117.86 -33.22 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 158.65 146.74 4.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' ASP . 24.6 ttp -33.75 -47.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' MET . 11.4 t0 -32.34 -54.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 23' ' ' LEU . 73.8 mm-40 -68.8 -62.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -34.22 -32.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.6 mt -79.07 -55.27 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 20.0 pttt -45.55 -33.52 2.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 74.8 m-20 -89.44 142.64 29.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.575 0.703 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -51.35 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.7 -48.97 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.7 -29.84 26.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -66.22 -49.69 66.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.3 pt-20 -72.78 -44.67 61.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.436 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 71.2 mm-40 -54.62 -57.78 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 20.9 t80 -54.14 -38.28 65.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 tp -63.91 -53.68 46.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' LEU . 34.6 mttm -36.35 -45.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -61.36 -45.44 94.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.635 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 9.9 mp -53.19 -56.33 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -38.23 -39.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -63.77 -49.02 74.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -84.1 12.59 6.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 53.59 44.47 29.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' SER . 3.7 m -114.33 -17.31 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.478 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 86.1 p -35.11 -49.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -38.81 -47.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -50.71 -55.68 15.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' TRP . 26.3 tp -67.51 -57.38 6.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -37.43 -42.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.515 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 21.1 t80 -69.67 -43.23 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.503 ' CH2' HD11 ' A' ' 23' ' ' LEU . 25.4 t90 -53.37 -59.1 5.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.6 mt -54.52 -47.67 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.8 -46.03 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.61 -51.58 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -43.31 -47.94 6.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' LEU . 25.5 t0 -75.55 -43.92 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 47.9 tp -34.84 -64.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 12.5 ptpt -53.65 -44.01 69.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -56.46 -39.29 72.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -52.31 144.43 22.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.543 0.687 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.72 168.44 21.51 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.1 tp -54.08 -31.41 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -68.49 -31.24 70.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -116.3 13.56 15.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.498 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -75.35 -58.79 1.41 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.613 0.72 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.8 -51.3 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 m -46.63 -36.56 7.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.1 tpt180 -78.4 -45.04 23.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' ARG . 39.2 t -36.0 -65.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -59.49 -47.72 84.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -45.64 -61.08 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.4 mt -51.19 -44.01 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.466 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -71.6 -15.96 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.527 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 28.6 mt-30 -94.41 -2.17 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -104.43 -44.52 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.515 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 2.4 m-85 -113.91 -47.24 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 28.6 mt -79.44 18.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.527 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -119.55 140.09 28.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.094 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.27 47.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.71 -19.34 5.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.08 161.89 0.91 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.712 . . . . 0.0 111.083 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.5 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.358 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.5 m -97.7 18.04 16.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -45.95 105.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.1 pt -91.98 -178.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -130.03 125.4 35.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.4 mt -110.39 162.02 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' SER . 8.8 t0 -60.66 136.39 58.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' ASP . 5.1 t -34.75 -37.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.8 tppp? -76.17 -63.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -45.1 -43.32 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -59.45 -54.91 41.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -54.43 -47.41 72.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.53 ' HZ2' ' ND2' ' A' ' 95' ' ' ASN . 13.8 tmtt? -60.16 -44.76 94.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.2 m -65.62 -61.51 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.5 m -42.82 -42.16 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -69.98 -44.68 68.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.53 ' ND2' ' HZ2' ' A' ' 91' ' ' LYS . 4.1 m-20 -60.24 -46.82 88.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.4 t -37.69 -41.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' VAL . 31.7 mmtp -34.89 -43.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -109.64 115.02 56.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 127.96 15.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -147.88 -147.86 4.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 48.7 mtt180 -115.93 -36.56 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -110.09 18.02 20.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.2 m -53.62 -44.35 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -94.42 17.04 13.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 22.3 pt-20 -46.56 -47.75 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 105' ' ' GLU . 1.1 m-20 -60.65 -66.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.11 -47.86 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -55.7 -39.55 71.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 9.2 tt0 -71.42 -41.71 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.419 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 44.7 t60 -54.52 -54.05 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.9 mm -61.09 -37.69 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 5.4 t80 -57.12 -55.95 28.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 23.4 mtmt -56.1 -15.17 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.6 tp -92.91 -70.79 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 39.4 mtm -42.51 -36.62 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.537 ' HG3' ' N ' ' A' ' 117' ' ' SER . 8.0 ptmm? -51.89 -48.91 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.537 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.0 OUTLIER -117.87 15.98 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 114' ' ' LEU . 16.1 t70 -102.05 -62.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.58 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.1 t -95.17 -52.53 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.533 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -35.0 -49.22 1.08 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.751 . . . . 0.0 110.909 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.58 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.7 Cg_exo -48.02 -62.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.712 2.274 . . . . 0.0 112.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -57.52 -48.57 78.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -40.84 -43.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.31 -41.52 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -56.68 -46.92 80.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -65.43 152.59 43.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 130' ' ' GLN . 4.8 m -72.87 -32.18 65.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.27 -38.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.57 ' CE1' HD12 ' A' ' 133' ' ' LEU . 0.9 OUTLIER -74.76 -45.65 42.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' SER . 48.5 mm-40 -59.91 -39.95 87.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.2 mm-40 -37.65 -60.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 133' ' ' LEU . 1.2 mm? -47.35 -62.04 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.57 HD12 ' CE1' ' A' ' 129' ' ' TYR . 12.3 mt -34.59 -63.22 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 135' ' ' GLY . 28.6 t -66.04 -64.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 134' ' ' SER . . . 37.59 -103.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 163.84 36.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.7 t -111.63 131.56 55.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 91.5 p -115.27 107.21 14.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -130.02 158.16 40.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -121.8 121.28 36.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.6 -68.56 3.51 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -162.38 177.89 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -107.31 147.03 30.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.36 132.74 35.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -97.03 -45.01 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -48.49 -53.68 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -61.06 -45.56 94.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -55.16 -46.58 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG23 ' CH2' ' A' ' 15' ' ' TRP . 71.7 t -50.45 -57.83 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -43.98 -42.13 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -48.37 -36.28 14.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CH2' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -76.07 17.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 14' ' ' ARG . . . -96.2 23.01 36.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' CD ' ' A' ' 21' ' ' GLU . 31.3 m-85 -135.97 102.01 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.567 ' O ' ' CE1' ' A' ' 120' ' ' TYR . . . 59.22 -146.23 43.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 22' ' ' ALA . 20.4 ttp -115.33 -35.02 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -33.47 -70.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.497 ' CD ' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.64 -32.13 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -66.43 -35.19 79.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD13 ' CH2' ' A' ' 48' ' ' TRP . 4.4 mt -81.38 -39.95 24.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -41.44 -65.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -76.1 150.1 82.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -51.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -53.17 -46.88 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.62 -31.38 74.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -67.19 -48.79 66.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.5 pt-20 -71.67 -44.21 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 8.7 mm-40 -53.94 -59.74 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -53.59 -36.78 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -62.01 -57.14 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . 31.3 mttm -34.94 -53.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -56.46 -54.46 45.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 119' ' ' SER . 84.6 mt -39.88 -50.97 2.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -45.01 -40.89 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -60.78 -48.9 79.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.58 16.29 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 52.03 37.85 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 t -117.94 17.79 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.416 ' HG ' ' N ' ' A' ' 43' ' ' GLU . 87.5 p -62.31 -37.52 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' N ' ' HG ' ' A' ' 42' ' ' SER . 12.4 pt-20 -59.6 -47.68 84.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -42.08 -52.56 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' ARG . 40.9 tp -78.47 -53.2 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' LEU . 24.8 mtp180 -35.6 -49.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.521 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 10.9 t80 -65.14 -47.62 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.574 ' CH2' HD13 ' A' ' 23' ' ' LEU . 64.8 t90 -50.46 -51.62 45.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.82 -44.85 96.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.49 -52.72 7.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.89 -47.19 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HA ' ' NZ ' ' A' ' 55' ' ' LYS . 35.4 mt-10 -51.69 -55.4 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -43.14 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 31.8 tp -39.41 -53.29 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.501 ' CG ' ' HB3' ' A' ' 101' ' ' ARG . 23.6 mtmt -55.31 -47.32 75.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -62.12 -38.95 90.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 16.5 mmt180 -52.16 142.06 28.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.72 161.97 43.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.494 HG21 ' N ' ' A' ' 60' ' ' LYS . 6.9 tp -52.24 -33.46 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.494 ' N ' HG21 ' A' ' 59' ' ' ILE . 5.6 ptmt -68.18 -32.39 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -110.15 11.37 23.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.512 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.0 t -72.69 -58.26 2.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.624 0.726 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.78 -50.85 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.339 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.1 m -42.91 -38.83 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.3 tpt180 -76.05 -43.34 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ARG . 42.2 t -37.71 -66.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.409 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 18.7 pt20 -55.65 -46.88 77.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.9 mm-40 -49.41 -61.81 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.9 mt -45.55 -45.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.441 ' CD1' ' C ' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -74.16 -24.92 59.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.556 ' C ' ' HB1' ' A' ' 75' ' ' ALA . 23.9 mt-30 -82.8 -6.57 59.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -48.5 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CD1' ' OG ' ' A' ' 80' ' ' SER . 34.4 m-85 -98.01 -65.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD13 ' CD1' ' A' ' 104' ' ' PHE . 33.6 mt -70.86 18.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.556 ' HB1' ' C ' ' A' ' 71' ' ' GLN . . . -112.79 140.68 24.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.62 56.34 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.68 17.05 2.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -83.32 159.14 62.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.581 0.705 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -49.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.57 ' OG ' ' CD1' ' A' ' 73' ' ' PHE . 52.8 p -100.52 18.92 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -51.98 134.6 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.9 pt -112.76 -179.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.43 125.73 39.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 74' ' ' LEU . 30.5 mt -118.64 177.63 4.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.64 176.24 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.5 m -69.17 -49.75 53.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 88' ' ' SER . 20.7 pttp -67.72 -44.15 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 26.5 m -61.15 -61.86 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -48.16 -58.21 4.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -48.54 -56.01 9.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -47.22 -48.33 24.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.408 ' CG2' HD11 ' A' ' 74' ' ' LEU . 90.4 m -56.25 -65.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' THR . 18.7 m -37.46 -45.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 2.9 t-80 -68.56 -44.28 74.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -59.31 -45.51 91.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.8 t -39.87 -38.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 94' ' ' HIS . 15.5 mmtm -36.54 -44.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -108.68 115.14 58.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.697 0.761 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.96 31.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 2.282 . . . . 0.0 112.299 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.51 -148.09 5.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.501 ' HB3' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -117.83 -36.87 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.6 16.92 21.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.4 m -55.23 -49.75 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.554 ' CD1' HD13 ' A' ' 74' ' ' LEU . 63.3 m-85 -90.34 16.98 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -52.4 41.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -53.09 -65.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.09 -42.62 39.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -51.47 -39.08 56.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.469 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 17.7 tt0 -68.74 -54.61 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -43.45 -56.65 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.442 HG22 ' CE ' ' A' ' 115' ' ' MET . 46.6 mm -56.35 -44.3 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 4.1 t80 -55.9 -55.75 28.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.474 ' C ' ' HG2' ' A' ' 116' ' ' LYS . 7.1 mtmp? -58.21 -11.52 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.512 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -96.19 -68.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.442 ' CE ' HG22 ' A' ' 111' ' ' ILE . 31.2 mtm -48.79 -29.36 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.516 ' HG3' ' N ' ' A' ' 117' ' ' SER . 10.3 ptmm? -54.85 -46.28 74.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.516 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 7.5 t -115.83 16.58 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.512 ' OD1' ' CD1' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -103.73 -61.77 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.527 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 49.9 m -97.26 -54.94 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.573 ' CZ ' HD12 ' A' ' 124' ' ' ILE . 4.7 t80 -33.35 -51.27 0.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.692 0.758 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 64.6 Cg_exo -47.95 -62.91 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.623 2.216 . . . . 0.0 112.376 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 125' ' ' ARG . 31.2 mtt85 -56.67 -51.91 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 122' ' ' ARG . 28.7 t80 -35.38 -39.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.573 HD12 ' CZ ' ' A' ' 120' ' ' TYR . 59.7 mt -74.44 -41.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 122' ' ' ARG . 14.0 mmt180 -61.37 -46.27 90.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.7 m -58.34 175.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 130' ' ' GLN . 37.9 m -91.68 -35.21 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.66 -34.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HD2' ' CE2' ' A' ' 123' ' ' PHE . 7.8 t80 -85.41 -42.41 14.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 133' ' ' LEU . 55.5 mm-40 -62.32 -52.49 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 16.9 pt-20 -37.56 -39.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.472 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 46.7 mt -64.57 -46.33 83.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 130' ' ' GLN . 16.3 mt -55.05 -60.02 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.1 t -57.78 -51.08 71.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.99 99.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 90.23 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.7 p -99.04 127.13 44.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.3 p -86.25 139.9 30.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -53.05 -44.59 67.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -53.15 111.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.62 -50.87 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 m -87.88 -60.34 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.823 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -81.7 137.19 35.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.78 170.51 23.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.0 m -54.02 -42.97 69.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -41.46 -42.3 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.94 -50.67 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -53.8 -51.12 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 HG23 ' CH2' ' A' ' 15' ' ' TRP . 83.3 t -40.73 -55.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -47.11 -39.17 12.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -50.53 -32.38 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.488 ' CH2' HG23 ' A' ' 12' ' ' VAL . 2.7 m0 -76.04 10.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.36 3.94 54.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -125.38 102.55 7.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.53 ' O ' ' CZ ' ' A' ' 120' ' ' TYR . . . 56.94 164.48 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.543 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 41.0 ttp -75.49 -43.62 48.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 19' ' ' MET . 10.4 t70 -32.92 -43.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.47 -60.16 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.25 -46.52 17.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.556 HD13 ' CH2' ' A' ' 48' ' ' TRP . 14.1 mt -56.98 -49.97 74.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -43.17 -59.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.17 145.75 88.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.258 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 88.9 t -63.04 -46.41 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.3 -26.9 45.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -69.23 -48.24 62.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.9 pt-20 -71.1 -43.49 67.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 34.1 mm-40 -52.47 -59.0 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 44.1 t80 -54.19 -34.86 61.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.1 tp -66.05 -54.37 26.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' LEU . 29.7 mttm -35.02 -56.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' SER . 58.4 t80 -56.79 -53.57 56.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 5.9 mp -40.76 -50.9 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -47.14 -38.59 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 28.3 m -68.52 -50.57 51.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -80.54 15.48 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 52.01 42.3 30.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.8 t -112.93 -12.43 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 41.4 p -40.74 -37.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.49 -40.8 92.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' SER . 7.9 m-20 -54.23 -55.92 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' ARG . 31.6 tp -71.57 -55.3 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' LEU . 24.1 mtp180 -37.46 -44.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.459 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 7.2 t80 -65.65 -47.08 76.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.556 ' CH2' HD13 ' A' ' 23' ' ' LEU . 25.9 t90 -52.72 -60.2 3.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.2 mt -53.03 -52.26 59.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.94 -42.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.1 -53.17 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -50.06 -52.01 37.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.9 t70 -64.06 -47.91 78.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ASP . 33.1 tp -37.59 -52.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -52.01 -52.68 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -46.31 -43.75 16.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -52.39 145.29 20.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 164.81 33.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.297 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 60' ' ' LYS . 7.2 tp -50.4 -38.59 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' N ' HG21 ' A' ' 59' ' ' ILE . 7.7 ptpp? -60.51 -28.59 68.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -112.71 15.12 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.503 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -75.67 -58.9 1.3 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.77 -51.02 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.0 m -43.48 -39.23 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' VAL . 28.6 mmm-85 -80.42 -45.15 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' ARG . 17.9 t -33.8 -64.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.0 pt20 -59.94 -51.1 71.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.1 mm-40 -44.9 -64.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.6 mt -50.56 -42.01 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.23 -19.49 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.513 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 30.4 mt-30 -92.4 -2.22 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.583 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 2.4 tp10 -97.89 -46.07 6.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -117.93 -38.99 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.584 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 44.4 mt -83.42 18.03 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.513 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -117.07 149.22 43.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.71 . . . . 0.0 111.093 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.404 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.47 43.6 3.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.525 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' O ' ' HB1' ' A' ' 81' ' ' ALA . . . -113.81 154.03 45.92 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 55.4 m -87.21 18.02 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -45.2 108.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 80' ' ' SER . 12.0 pt -91.89 -177.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -129.71 131.59 46.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.2 mt -123.21 171.33 9.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' SER . 27.9 t70 -78.38 141.39 38.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' ASP . 74.1 m -38.07 -43.61 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -63.08 -59.68 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 t -55.37 -58.79 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -46.7 -48.66 20.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.21 -63.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -48.94 -48.1 43.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.3 m -58.41 -65.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.3 m -38.18 -46.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -66.34 -43.96 84.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -60.49 -45.28 94.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.549 HG21 ' CE3' ' A' ' 70' ' ' TRP . 98.8 t -38.87 -42.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -37.95 -43.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.93 115.97 61.56 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.67 0.748 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.44 4.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.27 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.92 -166.12 10.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -97.61 -46.53 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -95.53 17.98 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.6 m -56.97 -44.32 82.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.503 ' CE1' HD12 ' A' ' 74' ' ' LEU . 77.8 m-85 -95.45 17.51 14.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.7 -58.86 5.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.24 -65.13 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.22 -51.98 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.442 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 65.9 tt0 -45.33 -38.49 5.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 22.1 tt0 -71.26 -44.01 66.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -54.16 -51.86 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.17 -41.91 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.2 t80 -56.07 -55.05 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.485 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.2 mtmp? -58.43 -12.47 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -94.46 -64.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.4 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 33.9 mtm -49.21 -33.93 13.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 117' ' ' SER . 8.7 ptmm? -52.55 -49.88 64.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.521 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 26.1 t -117.51 14.91 14.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 114' ' ' LEU . 18.7 t70 -102.48 -59.93 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.544 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 41.2 m -96.75 -52.66 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.7 t80 -34.53 -50.44 1.0 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.642 0.734 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.544 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.0 Cg_exo -47.94 -56.68 2.89 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -55.95 -45.04 78.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -42.87 -42.23 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 120' ' ' TYR . 5.1 mp -70.27 -37.28 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -59.08 -57.28 13.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 t -61.1 172.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' GLN . 57.9 m -91.23 -31.21 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.88 -38.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.58 ' CE1' HD12 ' A' ' 133' ' ' LEU . 2.8 t80 -77.64 -41.85 36.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 127' ' ' SER . 34.4 mm-40 -63.69 -34.58 78.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 130' ' ' GLN . 4.1 mm-40 -35.66 -65.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.64 -49.79 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.58 HD12 ' CE1' ' A' ' 129' ' ' TYR . 4.9 mt -51.89 -59.04 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 t -53.64 -56.52 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 137' ' ' SER . . . 62.15 101.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 137' ' ' SER . 54.2 Cg_endo -69.73 16.74 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.5 ' H ' ' C ' ' A' ' 135' ' ' GLY . 34.2 p -33.46 -44.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 39.4 m -116.02 159.19 21.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -57.84 170.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -154.61 162.0 41.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.46 -146.93 10.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.443 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -61.53 142.31 57.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.899 0.38 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' GLY . 63.6 p -92.94 -42.58 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.3 64.06 0.41 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -113.06 -37.9 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -42.84 -42.55 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.24 -38.68 75.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -64.48 -41.43 96.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.527 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 97.2 t -58.92 -46.68 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -44.47 -45.14 9.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -48.57 -36.79 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.527 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 5.1 m0 -68.57 -26.51 65.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.23 26.81 2.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.42 ' H ' ' C ' ' A' ' 15' ' ' TRP . 57.9 m-85 -117.98 -32.86 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.916 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 168.23 147.0 5.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.571 ' O ' ' N ' ' A' ' 22' ' ' ALA . 8.9 ptm -36.24 -58.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' MET . 26.8 t0 -32.18 -49.29 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -60.57 -42.39 96.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -70.44 -44.16 68.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 19' ' ' MET . 15.3 mt -53.9 -53.78 47.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -59.94 -32.74 71.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 4.1 t70 -86.89 137.81 33.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -51.17 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.757 2.304 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.515 HG12 ' CH2' ' A' ' 15' ' ' TRP . 91.6 t -63.59 -37.47 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.73 -33.41 80.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -65.8 -48.54 71.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 6.2 pt-20 -72.6 -46.05 56.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 87.7 mm-40 -55.26 -55.9 26.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.579 ' CE2' HD21 ' A' ' 36' ' ' LEU . 43.0 t80 -56.31 -28.65 59.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -72.19 -48.11 45.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -38.98 -60.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 126' ' ' SER . 18.9 t80 -54.7 -47.34 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -50.61 -58.15 6.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -44.63 -42.46 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 m -62.55 -50.37 71.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.42 11.75 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 52.72 40.12 29.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' SER . 96.6 p -111.58 -24.6 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.478 ' CA ' ' HB3' ' A' ' 36' ' ' LEU . 17.5 t -35.87 -45.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 42' ' ' SER . 22.0 mt-10 -33.65 -52.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.73 -55.97 21.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.27 -61.54 2.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -40.13 -47.21 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -60.55 -45.08 95.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.529 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 9.5 t90 -56.32 -58.16 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.6 mt -55.77 -42.78 75.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.9 -47.7 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.074 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.75 -47.32 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' OE2' ' NE2' ' A' ' 108' ' ' GLN . 0.1 OUTLIER -50.12 -48.82 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.1 m-20 -66.47 -44.93 81.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 58.2 tp -35.45 -53.93 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -52.98 -48.02 67.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -55.93 -42.93 76.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -52.96 140.92 40.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.43 53.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.503 HG21 ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -48.09 -34.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.503 ' N ' HG21 ' A' ' 59' ' ' ILE . 16.7 ptpt -62.82 -32.48 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.79 14.29 18.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.514 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.73 -58.64 2.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.676 0.75 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.73 -51.57 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.9 m -43.19 -38.53 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.9 tpt180 -74.97 -45.57 41.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' ARG . 46.1 t -33.86 -66.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -55.52 -45.82 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 71' ' ' GLN . 5.6 mm-40 -53.24 -62.05 1.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.7 mt -47.54 -37.18 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -83.18 -16.35 46.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.554 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 8.9 mm-40 -92.31 -5.07 52.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.58 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.0 tp10 -95.6 -47.58 6.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' CB ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -118.0 -38.36 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 70' ' ' TRP . 17.8 mt -83.37 17.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.554 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -115.83 151.03 45.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 111.123 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -54.64 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.44 52.06 2.73 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.08 154.63 61.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.573 0.701 . . . . 0.0 111.057 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.57 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.628 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 1.6 m -86.81 18.0 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.59 110.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' A' ' 73' ' ' PHE . 8.6 pt -95.58 -177.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -131.32 127.81 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 111' ' ' ILE . 24.6 mt -123.09 162.48 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.4 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 7.1 t0 -62.71 137.59 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -40.49 -37.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -69.72 -58.52 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 p -53.14 -59.5 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -45.41 -62.57 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -42.46 -52.53 4.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -58.44 -57.11 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 93' ' ' THR . 78.7 m -51.63 -61.72 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 92' ' ' THR . 22.2 m -34.68 -49.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -64.82 -48.94 72.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.499 ' ND2' ' OD2' ' A' ' 106' ' ' ASP . 89.9 m-20 -54.85 -44.59 74.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 98' ' ' GLU . 96.5 t -40.63 -56.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 96' ' ' VAL . 6.8 mptt -33.53 -36.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 96' ' ' VAL . 9.2 mt-10 -95.52 104.59 16.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.12 4.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.03 -150.03 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -113.44 -38.0 4.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -104.44 16.59 25.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.4 m -56.39 -41.52 76.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.46 ' CE1' HD13 ' A' ' 74' ' ' LEU . 91.4 m-85 -86.3 -9.5 56.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PHE . 29.3 tt0 -33.48 -42.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.499 ' OD2' ' ND2' ' A' ' 95' ' ' ASN . 2.5 m-20 -64.84 -61.53 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.22 47.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.529 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 35.8 tt0 -43.33 -38.47 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -67.46 -53.96 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.4 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 7.0 t60 -44.32 -49.37 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 84' ' ' LEU . 45.9 mm -66.51 -43.93 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -51.49 -65.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.497 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 39.1 mtmt -45.79 -34.42 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.3 tp -69.94 -69.29 0.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 116' ' ' LYS . 72.0 mtm -41.53 -39.86 1.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 26.9 mtpt -35.72 -68.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 4.4 t -114.53 17.87 17.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 33.5 t70 -98.87 -65.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.589 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.4 p -90.01 -52.37 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.599 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 25.9 t80 -33.15 -49.69 0.65 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.698 0.761 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 65.9 Cg_exo -47.97 -59.37 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 49.3 mtt-85 -48.19 -50.96 27.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 44.1 t80 -37.54 -57.78 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.46 HD12 ' CZ ' ' A' ' 120' ' ' TYR . 55.5 mt -56.29 -59.87 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.07 -42.37 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.46 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 5.5 t -66.29 147.24 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.5 t -68.03 -35.39 78.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -37.52 -41.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.521 ' CE2' HD13 ' A' ' 133' ' ' LEU . 16.2 t80 -68.75 -53.86 19.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 131' ' ' GLU . 31.3 mm-40 -53.93 -37.78 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 130' ' ' GLN . 6.4 mm-40 -35.17 -61.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -52.49 -61.54 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.521 HD13 ' CE2' ' A' ' 129' ' ' TYR . 20.7 mt -39.33 -63.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.5 t -55.12 -54.23 45.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -122.06 98.99 0.65 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.17 20.73 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.5 m -146.92 130.88 17.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.1 m -138.31 172.45 12.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -87.45 17.98 4.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m -86.6 -60.64 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.09 98.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -100.77 133.55 45.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 p -139.24 156.5 47.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.93 -95.26 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.9 m -50.26 -42.88 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 133' ' ' LEU . 43.3 tt0 -40.62 -41.68 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -60.45 -50.14 74.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 8.6 mpt_? -58.36 -48.25 81.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.524 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 57.5 t -50.36 -53.2 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -57.13 -48.45 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.2 mmt-85 -43.63 -46.28 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.524 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 2.0 m0 -57.1 -50.61 72.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 18' ' ' GLY . . . -38.8 -24.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' TRP . 56.0 m-85 -76.9 13.91 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' TRP . . . 122.08 170.09 13.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.535 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 16.9 ttp -68.74 -42.32 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 19' ' ' MET . 5.6 m-20 -32.71 -45.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -69.56 -43.6 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -64.86 -31.91 73.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 19' ' ' MET . 45.4 mt -71.89 -55.98 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -54.33 -33.94 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -92.33 142.02 25.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.31 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.721 2.28 . . . . 0.0 112.339 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.09 -44.77 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.83 -28.72 68.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' CZ ' ' CD2' ' A' ' 49' ' ' LEU . 20.8 mtt180 -69.8 -49.85 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.308 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.3 pt-20 -70.36 -44.1 68.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 61.8 mm-40 -52.81 -61.35 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 14.5 t80 -54.39 -36.55 64.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.6 tp -63.25 -53.11 58.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' LEU . 67.2 mttt -35.99 -53.92 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 33.6 t80 -56.6 -45.15 81.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD23 ' CZ ' ' A' ' 32' ' ' PHE . 42.1 mt -48.33 -57.33 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -42.19 -38.98 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -61.87 -50.04 73.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.613 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 4.8 pt-20 -85.76 12.08 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.613 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 51.21 40.94 27.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.457 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 22.9 m -117.96 16.16 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 m -68.39 -38.35 81.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' CA ' ' OE1' ' A' ' 43' ' ' GLU . 1.5 mm-40 -41.83 -49.16 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -47.51 -56.38 7.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 48' ' ' TRP . 25.1 tp -67.26 -54.45 20.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' LEU . 3.1 mmp_? -36.14 -51.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.523 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 7.1 t80 -61.75 -42.24 98.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 24.2 t90 -56.29 -61.85 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' CD2' ' CZ ' ' A' ' 29' ' ' ARG . 74.0 mt -51.12 -46.65 61.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.29 -55.98 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.88 -54.13 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -40.01 -44.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' LEU . 4.4 t70 -73.12 -41.79 63.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASP . 50.5 tp -37.35 -46.59 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -49.58 77.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -57.86 -39.36 77.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -51.97 151.92 6.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 163.4 38.48 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.319 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.565 HG22 ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -56.99 -27.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' N ' HG22 ' A' ' 59' ' ' ILE . 6.1 ptmt -72.94 -30.76 64.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -105.66 9.81 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.51 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -74.78 -58.64 1.63 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.73 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.404 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -47.45 -34.86 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.8 mmm180 -78.97 -43.53 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' ARG . 25.3 t -32.85 -64.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.6 pt20 -60.17 -47.73 84.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 23.3 mm-40 -45.97 -59.04 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.3 mt -51.5 -41.57 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.551 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.69 -17.96 61.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.558 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 36.1 mt-30 -94.54 -0.62 54.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.575 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 15.1 tt0 -101.39 -44.94 5.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.8 OUTLIER -117.6 -38.81 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.551 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 57.1 mt -85.0 17.99 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -119.82 142.71 33.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.052 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 137.73 36.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.67 -16.28 15.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.09 159.82 1.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.552 0.692 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.7 1.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.238 . . . . 0.0 112.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.58 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 11.9 m -101.18 18.08 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -45.79 103.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.1 pt -91.37 -177.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -126.39 139.92 52.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 69.9 mt -128.64 177.67 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' SER . 43.8 t0 -84.6 131.53 34.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' ASP . 25.2 m -36.4 -36.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -70.28 -64.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 m -54.36 -53.88 48.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -48.45 -51.74 25.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -48.37 -57.56 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -52.12 -49.06 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' THR . 25.5 m -56.95 -60.67 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' THR . 11.1 m -36.07 -55.28 0.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -65.31 -46.05 81.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -52.31 -44.05 64.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' LYS . 90.4 t -46.86 -42.04 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' VAL . 15.8 mmtp -35.18 -47.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -100.94 114.5 65.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 118.65 5.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 0.0 112.375 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.48 -148.18 5.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -116.45 -37.12 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -109.9 18.04 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.2 m -51.72 -41.26 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -91.65 17.91 8.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -47.07 -50.52 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.28 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.42 ' NE2' ' CD1' ' A' ' 48' ' ' TRP . 8.4 tp60 -37.75 -43.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 112' ' ' TYR . 25.1 tt0 -68.27 -60.7 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 109' ' ' GLU . 43.5 t60 -36.51 -54.23 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 48.7 mm -55.79 -42.72 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 7.1 t80 -55.53 -56.82 15.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.47 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -55.12 -14.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 111' ' ' ILE . 2.3 tp -93.58 -70.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.504 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 51.3 mtm -44.31 -35.28 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.5 ptmt -51.2 -49.2 61.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.524 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.6 t -116.88 17.94 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 115' ' ' MET . 50.8 t0 -98.0 -67.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.56 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -95.66 -49.81 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.4 t80 -34.64 -49.92 1.02 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.56 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.9 Cg_exo -47.95 -54.63 4.94 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.264 . . . . 0.0 112.3 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -59.89 -38.74 83.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -48.65 -44.75 37.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 120' ' ' TYR . 5.3 mp -65.6 -53.36 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.22 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.9 t -63.03 148.86 46.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' ALA . 3.1 m -67.81 -37.82 82.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.09 -40.27 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.3 -59.54 2.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 131' ' ' GLU . 35.7 mm-40 -49.12 -44.14 42.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 130' ' ' GLN . 7.3 mt-10 -36.25 -43.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.409 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 22.7 mt -46.18 -60.44 2.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 43.7 t -59.63 -59.08 6.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 137' ' ' SER . . . 70.88 71.49 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 135' ' ' GLY . 80.0 p -132.44 175.99 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.0 m -78.45 -46.15 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 p -68.61 -55.32 11.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -104.23 175.91 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.34 93.18 1.56 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -116.33 -37.97 3.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.877 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 m -77.96 125.3 29.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.23 90.66 1.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.8 t -91.24 -41.04 11.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -43.09 -45.97 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -68.88 -40.33 79.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -42.64 86.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.554 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 90.7 t -59.54 -58.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -46.11 -46.12 16.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -42.26 -41.53 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 6.9 m0 -62.81 -41.35 99.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.3 -20.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' TRP . 39.5 m-85 -79.24 15.22 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.558 ' C ' ' CE2' ' A' ' 120' ' ' TYR . . . 109.75 166.98 19.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.577 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 27.7 ttp -59.97 -43.15 95.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 19' ' ' MET . 9.0 p-10 -32.22 -41.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' OE1' ' CD ' ' A' ' 24' ' ' LYS . 63.2 mm-40 -76.91 -66.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -36.04 -35.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.556 HD12 ' CH2' ' A' ' 48' ' ' TRP . 81.2 mt -66.73 -55.35 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -49.13 -36.7 19.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.462 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 19.0 t70 -85.59 141.12 36.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.656 0.741 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.75 -45.4 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.67 -57.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.39 -29.18 2.49 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -67.24 -48.8 66.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.5 pt-20 -69.75 -43.69 71.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 18.1 mm100 -53.54 -60.45 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.618 ' CE1' HD11 ' A' ' 36' ' ' LEU . 20.4 t80 -50.8 -38.11 46.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -62.25 -54.2 44.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . 33.4 mttm -35.24 -61.85 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -47.02 -54.55 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.618 HD11 ' CE1' ' A' ' 32' ' ' PHE . 8.9 mp -47.4 -58.13 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -38.75 -35.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -71.26 -50.0 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 41' ' ' SER . 10.4 pt-20 -77.84 11.22 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 53.66 43.28 31.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.475 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 3.1 m -115.71 -21.4 9.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLU . 59.8 p -34.83 -44.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' SER . 1.3 mm-40 -35.07 -48.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -53.21 -57.73 9.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' ARG . 24.6 tp -65.51 -56.42 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LEU . 36.6 mtp180 -34.92 -43.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.552 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.8 t80 -69.38 -49.82 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.565 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 16.1 t90 -50.08 -63.11 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -47.52 -46.85 27.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.78 -43.37 37.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.42 -54.86 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 32.2 mm-40 -41.84 -42.03 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 54' ' ' LEU . 10.2 t0 -75.73 -43.61 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 69' ' ' ILE . 59.5 tp -34.4 -65.42 0.2 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -49.12 -48.89 44.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -52.36 -40.23 61.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -53.7 152.66 9.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 163.06 39.65 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.57 HG22 ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -55.16 -29.05 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.57 ' N ' HG22 ' A' ' 59' ' ' ILE . 5.5 ptmt -71.95 -31.87 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -108.32 10.72 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -73.28 -58.61 2.36 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.3 Cg_endo -69.7 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.6 m -41.87 -36.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' VAL . 16.3 mmt-85 -82.08 -42.92 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' ARG . 23.3 t -32.74 -65.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 6.1 pt20 -61.52 -48.47 80.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 67.4 mm-40 -46.49 -63.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 54' ' ' LEU . 25.3 mt -47.52 -44.01 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.473 ' CE3' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -71.79 -18.79 62.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.504 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 22.8 mt-30 -92.09 -2.12 56.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.559 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 11.0 tt0 -107.04 -39.5 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 4.4 m-85 -117.99 -42.14 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 70' ' ' TRP . 18.0 mt -86.55 17.78 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.504 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -111.66 149.84 41.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -54.37 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -91.6 53.88 3.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -122.62 156.16 61.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.542 0.687 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -52.76 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.603 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -87.06 18.0 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 75' ' ' ALA . . . -49.13 109.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.9 pt -94.29 -176.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -130.57 130.94 44.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.5 mt -123.7 165.23 17.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.82 165.06 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.9 p -67.22 -44.85 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 88' ' ' SER . 14.4 ptpt -72.36 -43.01 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 67.6 m -63.87 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -46.68 -47.96 20.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.66 -52.64 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -51.92 -48.81 64.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.6 m -61.04 -52.18 66.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.7 m -39.72 -47.45 2.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -67.46 -44.45 78.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.424 ' HB3' ' CG2' ' A' ' 103' ' ' THR . 89.8 m-20 -58.63 -41.27 85.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.473 HG23 ' CE3' ' A' ' 70' ' ' TRP . 88.5 t -47.55 -46.06 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -39.77 -43.24 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.85 116.17 62.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.413 ' CB ' ' HB3' ' A' ' 63' ' ' PRO . 54.0 Cg_endo -69.77 140.77 43.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.616 2.211 . . . . 0.0 112.362 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.75 -151.05 6.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -114.3 -35.89 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -111.92 16.77 20.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.424 ' CG2' ' HB3' ' A' ' 95' ' ' ASN . 87.4 m -53.36 -38.12 63.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -98.89 17.63 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.92 -51.95 37.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -60.98 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.91 -61.79 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.565 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 27.0 tt0 -44.81 -38.72 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -71.32 -47.0 59.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -52.32 -58.13 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 46.9 mm -59.51 -34.84 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -58.0 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -50.03 -29.92 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.524 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -67.84 -74.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.467 ' O ' ' C ' ' A' ' 116' ' ' LYS . 65.8 mtm -37.97 -42.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 115' ' ' MET . 18.7 mtpp -32.98 -71.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.3 t -102.96 17.82 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.524 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -98.92 -66.07 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.549 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 20.4 m -93.38 -50.93 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.4 t80 -33.5 -50.7 0.76 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.668 0.747 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.549 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.5 Cg_exo -47.94 -53.96 5.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.378 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.494 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 42.8 mtt180 -61.44 -39.23 90.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -63.61 -40.62 97.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.95 -43.97 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.494 ' CG ' ' HA ' ' A' ' 122' ' ' ARG . 4.3 ppt_? -73.08 -30.15 63.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.473 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 83.8 p -66.53 128.32 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 128' ' ' ALA . 32.3 m -43.24 -41.44 3.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.36 -36.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.443 ' CE1' HD13 ' A' ' 133' ' ' LEU . 4.0 t80 -81.91 -46.04 14.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -59.64 -52.75 64.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 17.5 pt-20 -43.09 -41.13 3.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 69.8 mt -62.08 -46.33 89.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.443 HD13 ' CE1' ' A' ' 129' ' ' TYR . 7.0 mt -50.93 -62.4 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.2 t -52.71 -53.45 47.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 111.18 117.89 3.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 144.02 52.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 60.5 p -158.35 161.14 37.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.6 p -42.15 -40.77 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -125.43 162.8 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.837 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -118.56 136.51 53.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.52 43.91 8.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 m -119.69 120.87 37.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -150.16 134.61 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.27 -40.42 6.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.54 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 t -44.61 -40.56 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.865 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -40.35 -41.73 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.38 -47.11 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -57.1 -54.6 44.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 67.1 t -42.28 -60.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -49.08 -42.82 40.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' TRP . 8.8 tpt180 -53.97 -46.22 71.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.492 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 51.8 m0 -38.05 -35.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.3 -145.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 50.55 34.66 9.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.99 138.25 10.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 20' ' ' ASP . 45.4 ttp -39.94 -38.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 19' ' ' MET . 28.9 m-20 -32.68 -60.03 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' ALA . 15.8 mm-40 -56.88 -62.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -36.9 -42.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' LYS . 39.5 mt -65.59 -55.01 19.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' LEU . 2.2 mptm? -37.05 -59.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.8 t70 -73.72 141.34 79.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.1 Cg_endo -69.82 -46.64 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.217 . . . . 0.0 112.378 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.24 -48.44 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.15 -28.09 40.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -68.59 -47.15 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.6 pt-20 -73.5 -43.53 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 48.3 mm-40 -56.4 -56.97 14.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.614 ' CE1' HD12 ' A' ' 36' ' ' LEU . 9.9 t80 -54.48 -35.2 62.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -65.56 -54.62 25.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 37.6 mttm -35.09 -58.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 126' ' ' SER . 53.2 t80 -50.55 -48.62 57.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' A' ' 32' ' ' PHE . 6.4 mp -54.35 -53.05 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -40.93 -42.83 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -61.11 -50.56 72.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.75 15.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 52.78 38.9 27.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' SER . 34.6 m -108.51 -19.95 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.472 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 30.9 p -37.01 -47.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' SER . 37.7 mt-10 -33.93 -61.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -40.03 -58.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ARG . 45.9 tp -65.73 -60.93 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' LEU . 63.5 mtt180 -35.47 -45.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.46 -51.17 64.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.537 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 9.8 t90 -50.75 -57.87 7.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.3 mt -51.99 -50.78 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.74 -43.69 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.12 -44.82 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 20.7 mm-40 -55.69 -50.1 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 54' ' ' LEU . 41.7 t0 -69.46 -40.44 77.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' ASP . 67.1 tp -33.98 -56.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -51.69 -48.72 63.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . 27.3 mmtp -54.85 -41.71 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.933 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -52.31 147.37 13.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.822 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 160.84 48.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.621 2.214 . . . . 0.0 112.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 7.2 tp -53.42 -34.86 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.13 -29.81 70.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -113.52 14.46 19.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.511 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.55 -58.45 2.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.707 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.4 Cg_endo -69.79 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -44.05 -37.81 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.5 tpt180 -78.51 -44.9 23.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' ARG . 39.5 t -37.19 -65.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -58.86 -46.05 88.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -47.12 -64.66 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.6 mt -46.05 -43.19 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -72.55 -24.69 61.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.559 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 29.1 mt-30 -83.09 -6.24 59.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 2.1 tp10 -108.09 -50.93 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.556 ' C ' ' H ' ' A' ' 75' ' ' ALA . 47.7 m-85 -98.01 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.1 mt -71.01 17.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.559 ' HB2' ' C ' ' A' ' 71' ' ' GLN . . . -115.17 143.5 30.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 0.0 111.112 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . 53.5 Cg_endo -69.79 162.81 40.67 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.703 2.268 . . . . 0.0 112.385 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 42.87 21.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' PRO . . . -84.55 155.38 62.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.553 0.692 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -35.78 11.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.516 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 69.5 m -109.46 17.95 20.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -51.97 116.46 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.3 pt -95.1 -176.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -130.02 127.35 39.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.1 mt -126.67 174.1 8.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -63.87 169.33 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -64.57 -59.55 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -64.55 -44.53 90.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.1 m -56.07 -61.47 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -49.84 -53.67 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -54.42 -49.82 69.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -46.65 -57.99 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.0 m -52.7 -54.83 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.1 m -39.04 -39.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -74.09 -46.4 43.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -57.06 -44.01 82.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 97' ' ' LYS . 89.5 t -39.69 -45.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 96' ' ' VAL . 28.5 mmtt -34.59 -45.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -100.39 116.7 64.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 120.02 6.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -150.23 -168.0 14.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -97.93 -48.61 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.25 17.88 11.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.9 m -54.85 -43.7 73.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.404 ' CZ ' HG13 ' A' ' 66' ' ' VAL . 23.8 m-85 -93.6 17.58 11.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -47.14 -48.38 23.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -52.24 -63.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.72 -54.77 9.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.537 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 59.7 tt0 -46.53 -40.6 12.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -66.53 -53.74 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -49.27 -57.43 6.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 48.2 mm -61.09 -45.05 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -47.58 -57.63 5.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.483 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 22.8 mtmt -56.65 -32.54 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.6 tp -68.84 -67.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 116' ' ' LYS . 73.6 mtm -41.58 -42.25 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.483 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 26.0 mtpt -33.62 -68.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 0.3 OUTLIER -113.49 17.98 17.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 31.7 t70 -98.23 -69.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.56 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 3.2 p -89.44 -51.21 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.58 ' CE1' HD12 ' A' ' 124' ' ' ILE . 2.2 t80 -33.73 -50.12 0.8 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.677 0.751 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.56 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.3 Cg_exo -47.99 -65.95 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -39.42 -51.05 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 13.0 t80 -39.24 -56.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 120' ' ' TYR . 4.7 mp -61.35 -38.12 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -58.38 -55.42 35.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.555 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 8.0 t -55.78 161.11 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 128' ' ' ALA . 4.8 m -81.78 -33.13 31.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.88 -42.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -67.87 -49.51 61.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -59.54 -44.7 93.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.75 -58.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.52 -46.8 73.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.89 -70.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.413 ' O ' ' OG ' ' A' ' 134' ' ' SER . 12.5 t 62.53 32.01 16.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 137' ' ' SER . . . -123.7 -75.67 0.3 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 20.53 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.383 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.521 ' H ' ' C ' ' A' ' 135' ' ' GLY . 26.7 t -62.71 135.6 57.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 91.5 p -139.47 131.6 28.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -74.63 137.79 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -132.6 160.35 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.08 -41.52 22.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.4 p -82.48 17.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -60.57 147.07 42.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -85.03 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m 63.47 31.99 14.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' HG2' ' NE2' ' A' ' 10' ' ' GLN . 35.8 tt0 -92.58 -60.54 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' NE2' ' HG2' ' A' ' 9' ' ' GLN . 1.9 mp0 -56.99 -41.94 79.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -52.21 -43.96 64.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.56 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 94.3 t -57.52 -46.57 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -54.9 -39.8 69.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' CG ' ' OE1' ' A' ' 21' ' ' GLU . 9.4 tpt180 -49.32 -37.33 23.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 2.1 m0 -68.95 -25.89 64.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.49 11.3 4.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 15' ' ' TRP . 27.2 m-85 -103.35 -37.57 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.836 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.482 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 172.21 145.22 4.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' ASP . 42.4 ttp -37.75 -45.77 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' MET . 32.4 t0 -32.26 -57.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' LEU . 35.0 mm-40 -64.21 -64.0 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -34.75 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' GLU . 40.5 mt -76.6 -55.22 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 1.2 ptmm? -47.88 -37.98 15.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 19.9 m-20 -83.48 144.09 45.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.642 2.228 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.66 -52.7 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.28 -31.18 8.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -65.22 -49.83 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.8 pt-20 -72.49 -44.58 62.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 47.6 mm-40 -55.08 -57.74 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 36' ' ' LEU . 36.1 t80 -52.35 -36.67 54.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.5 tp -66.24 -53.22 39.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 50.8 mttt -34.62 -59.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 38' ' ' SER . 60.8 t80 -55.29 -52.84 62.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 5.6 mp -41.34 -52.36 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -45.05 -38.65 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 25.5 m -66.65 -52.33 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -78.7 15.81 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 51.93 44.76 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' SER . 38.9 t -116.08 -17.04 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.468 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 66.1 p -35.38 -38.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' ASN . 34.8 mt-10 -55.04 -57.35 12.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.1 m-20 -36.63 -61.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.2 tp -64.96 -53.08 51.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -40.63 -42.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -70.24 -42.12 72.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.557 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 28.7 t90 -61.17 -54.17 47.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.22 -50.13 67.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.07 -44.29 31.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.8 t -63.24 -48.84 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 24.1 mm-40 -52.09 -41.73 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 54' ' ' LEU . 85.7 m-20 -77.83 -41.41 37.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' ASP . 54.1 tp -35.16 -62.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.86 -44.16 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -55.91 -40.08 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -52.83 152.44 7.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.729 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.72 160.03 51.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.357 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.475 HG21 ' N ' ' A' ' 60' ' ' LYS . 7.6 tp -52.79 -28.62 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.475 ' N ' HG21 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -74.07 -31.35 62.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.837 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.54 9.19 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.501 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -74.42 -58.82 1.76 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.77 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.2 m -43.62 -36.17 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' VAL . 1.9 tpt180 -78.54 -41.89 30.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 65' ' ' ARG . 37.5 t -36.76 -66.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 18.4 pt20 -54.74 -47.68 73.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 78.3 mm-40 -48.26 -64.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mt -42.19 -47.37 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.602 ' CE3' ' CB ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -70.62 -31.4 68.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.593 ' C ' ' HB1' ' A' ' 75' ' ' ALA . 29.5 mt-30 -76.78 -7.64 55.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 17.9 tt0 -107.69 -49.27 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.541 ' C ' ' H ' ' A' ' 75' ' ' ALA . 16.4 m-85 -97.98 -63.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.602 ' CB ' ' CE3' ' A' ' 70' ' ' TRP . 54.9 mt -71.02 18.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.593 ' HB1' ' C ' ' A' ' 71' ' ' GLN . . . -114.11 141.11 25.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 111.114 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.21 50.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.82 17.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 75' ' ' ALA . . . -80.76 159.05 69.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.539 0.685 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -43.31 2.72 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.31 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.72 17.95 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -49.97 122.4 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.5 pt -101.96 -178.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -124.3 138.65 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.2 mt -132.7 176.17 8.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -72.39 161.89 30.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 p -63.56 -48.68 76.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 88' ' ' SER . 11.0 ptpp? -67.38 -40.73 85.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 59.1 m -66.37 -60.58 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -44.21 -45.68 8.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.91 -54.02 50.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -47.98 -46.49 32.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.1 m -61.37 -62.04 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.0 m -40.46 -42.51 1.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.54 -43.28 85.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' VAL . 10.4 m-20 -64.38 -46.52 82.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LYS . 88.5 t -35.76 -39.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -34.57 -50.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -112.65 111.3 51.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 132.13 22.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.1 -137.83 3.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -117.8 -34.86 4.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -112.48 17.67 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 98.2 m -55.86 -39.04 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -97.51 17.51 17.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -52.23 -50.12 62.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.07 -58.36 7.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.26 -59.04 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.557 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 50.4 tt0 -44.57 -39.77 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -69.57 -49.68 51.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -48.94 -56.04 10.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.465 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 45.8 mm -61.4 -49.67 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.404 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 37.0 t80 -43.07 -62.84 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.475 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 41.4 mtmt -49.95 -39.2 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.542 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER -63.08 -66.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 116' ' ' LYS . 74.1 mtm -39.57 -45.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 120' ' ' TYR . 8.6 mtpm? -33.23 -69.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.447 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.6 t -108.4 18.93 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.542 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 7.9 t0 -98.01 -70.88 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.599 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.1 t -92.16 -53.51 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.527 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 1.2 t80 -32.5 -49.84 0.56 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.738 0.78 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.599 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.6 Cg_exo -48.03 -59.62 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.234 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 123' ' ' PHE . 50.0 mmt-85 -47.18 -52.33 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 122' ' ' ARG . 5.5 t80 -35.22 -47.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.0 mp -67.77 -50.07 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -48.41 -42.84 33.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 p -73.64 155.56 38.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' ALA . 5.8 m -80.29 -30.0 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.39 -44.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -75.08 -45.67 39.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -54.69 -48.62 72.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -40.55 -48.35 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.2 mp -54.57 -46.53 73.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.4 mt -60.59 -62.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.7 t -46.9 -52.81 13.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 144.63 95.72 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 175.08 8.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.706 2.27 . . . . 0.0 112.355 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.0 t 53.38 42.62 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.1 t -90.93 -54.76 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 m 62.38 42.7 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -57.4 -57.44 12.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.12 135.13 4.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -120.85 150.41 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 t -42.66 -59.91 1.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.84 135.33 2.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -82.85 -43.72 16.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -50.94 -46.71 61.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -61.64 -46.34 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -55.52 -55.82 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.521 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 94.2 t -42.57 -57.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -39.01 -45.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 16.0 mtt180 -52.64 -46.11 66.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.521 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 24.7 m0 -48.62 -28.57 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.26 28.96 2.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 19.1 m-85 -116.38 15.34 15.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.17 151.08 9.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' ASP . 20.5 ttp -43.78 -48.62 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' MET . 2.4 t70 -34.71 -65.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.3 -50.84 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.79 -45.64 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD13 ' CH2' ' A' ' 48' ' ' TRP . 8.2 mt -67.22 -49.54 64.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' LEU . 16.1 mmtm -34.22 -62.07 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.463 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 19.9 t70 -69.5 141.78 91.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.0 Cg_endo -69.81 -45.32 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.17 -44.67 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.9 -29.55 59.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -64.58 -48.68 74.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -73.53 -41.64 62.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -58.02 -58.88 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.543 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 25.9 t80 -54.9 -33.2 61.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.3 tp -65.71 -55.91 14.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . 36.0 mttt -34.84 -56.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 49.3 t80 -51.46 -39.92 58.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 33' ' ' LEU . 44.4 mt -57.26 -61.04 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -37.15 -43.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -56.26 -54.68 42.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.599 ' OE2' ' CE2' ' A' ' 35' ' ' PHE . 15.3 pt-20 -82.29 11.26 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 55.71 39.02 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.3 p -117.33 17.26 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -69.52 -38.94 77.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -45.19 -50.84 11.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -44.51 -43.14 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.61 -49.43 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -43.13 -47.49 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -43.42 92.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.498 ' CH2' HD13 ' A' ' 23' ' ' LEU . 29.6 t90 -57.55 -50.16 74.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.09 -52.32 56.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.06 -46.0 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.64 -53.92 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -45.89 -37.12 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 56' ' ' LYS . 22.9 t70 -83.55 -42.07 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 53' ' ' ASP . 42.4 tp -32.33 -64.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -47.71 -42.3 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 53' ' ' ASP . 11.7 mmpt? -56.63 -40.8 76.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mmp_? -53.64 150.04 14.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.702 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' VAL . 54.2 Cg_endo -69.79 166.18 28.48 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.539 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.2 -31.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.499 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -69.13 -30.78 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -114.21 10.51 17.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.517 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.0 t -73.49 -58.22 2.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.1 Cg_endo -69.75 -51.47 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.1 m -42.11 -36.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -78.37 -41.81 32.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ARG . 43.3 t -35.05 -67.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.05 -45.23 87.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.9 mm-40 -50.87 -66.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.6 mt -40.88 -39.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.535 ' CD1' ' C ' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -76.56 -32.11 57.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 26.8 mt-30 -81.51 -4.24 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.566 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 27.7 tt0 -96.2 -47.22 6.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' ' CB ' ' A' ' 80' ' ' SER . 2.7 m-85 -117.92 -37.99 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 70' ' ' TRP . 28.2 mt -84.25 17.95 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -111.06 150.87 42.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 111.075 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.49 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.64 45.24 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -109.39 154.67 42.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.411 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.75 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.573 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 16.5 m -90.87 18.01 7.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -46.14 112.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 80' ' ' SER . 6.7 pt -95.11 -177.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -125.67 133.1 52.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.1 mt -129.8 174.01 10.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -66.07 176.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.9 p -79.47 -49.19 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -69.84 -41.95 74.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.474 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 45.6 m -61.4 -60.75 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -44.42 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -41.3 -58.21 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -49.53 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.1 m -53.7 -56.9 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.3 m -44.12 -43.4 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -71.4 -44.1 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -57.77 -47.8 81.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 88.8 t -40.24 -44.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -39.45 -45.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -98.48 113.64 64.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 122.31 8.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.22 -161.88 10.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -105.92 -36.6 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -103.1 16.65 26.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.2 m -56.2 -35.86 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -104.22 17.29 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -54.56 -42.46 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -64.15 -67.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.85 -49.41 29.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -55.51 -36.92 67.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.518 ' O ' ' CD ' ' A' ' 113' ' ' LYS . 1.7 tt0 -69.3 -36.85 77.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.436 ' HA ' ' NZ ' ' A' ' 113' ' ' LYS . 16.0 t60 -59.87 -55.98 27.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.3 mm -53.58 -31.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.461 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 17.1 t80 -58.08 -62.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.518 ' CD ' ' O ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -54.5 -15.03 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.2 tp -89.97 -71.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.4 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 37.2 mtm -43.03 -37.87 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 117' ' ' SER . 6.4 ptmm? -54.01 -45.21 71.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 3.3 m -117.78 14.2 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 114' ' ' LEU . 17.4 t70 -103.34 -63.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.56 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.9 m -95.61 -50.69 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.799 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.547 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 1.7 t80 -37.73 -48.42 2.69 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.667 0.746 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.56 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.2 Cg_exo -47.96 -55.49 3.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -64.38 -43.96 92.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.543 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 79.7 t80 -45.27 -39.16 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.6 mm -65.84 -39.78 85.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -67.82 -47.09 70.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.5 p -52.06 161.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 128' ' ' ALA . 1.4 t -77.83 -36.11 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.79 -35.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.575 ' CE2' HD11 ' A' ' 133' ' ' LEU . 39.8 t80 -81.14 -44.5 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' GLU . 39.1 mm-40 -62.17 -55.14 31.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 8.3 pt-20 -36.72 -38.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.492 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 23.1 mt -65.99 -50.19 65.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 129' ' ' TYR . 18.4 mt -55.8 -62.23 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.1 t -52.7 -48.03 66.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 78.88 94.86 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.31 2.85 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.0 t -56.19 150.77 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 m -51.04 -48.0 61.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.498 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -101.67 159.28 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 m -119.59 120.37 36.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.12 158.7 15.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t -72.72 -48.68 36.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -43.46 -51.32 6.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.01 -165.61 12.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 t -100.52 -37.73 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.896 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 133' ' ' LEU . 39.1 tt0 -43.84 -44.3 6.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.77 -41.68 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 11' ' ' ARG . 9.9 ttt180 -58.82 -55.88 29.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 87.2 t -41.48 -40.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -52.7 -49.2 65.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 30.4 mmt-85 -39.78 -52.97 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.533 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 1.4 m0 -56.93 -42.01 79.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.33 -27.34 2.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -67.47 -47.03 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 120' ' ' TYR . . . 176.72 169.06 37.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.7 ttp -50.07 -46.21 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -41.63 -58.53 1.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.49 -26.01 68.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -76.25 -31.02 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.571 HD21 ' CZ3' ' A' ' 48' ' ' TRP . 10.8 mt -81.75 -55.19 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -38.17 -38.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -87.66 143.61 34.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.572 0.701 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.86 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.03 -45.09 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -28.34 51.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.492 ' NE ' HD23 ' A' ' 49' ' ' LEU . 36.4 mtp180 -66.87 -51.35 56.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.7 pt-20 -70.66 -44.4 67.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 59.4 mm-40 -55.41 -60.79 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 4.6 t80 -54.72 -34.01 61.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.4 tp -64.53 -57.43 9.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 21.4 mttm -34.32 -63.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 25.8 t80 -42.71 -44.71 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 48.1 mt -56.66 -51.9 66.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -39.08 -39.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 40.2 m -58.18 -61.9 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.573 ' OE2' ' CE2' ' A' ' 35' ' ' PHE . 11.0 pm0 -71.19 2.96 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 57.98 41.29 24.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' SER . 79.9 p -110.9 -20.78 12.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . 69.2 p -36.6 -41.46 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' SER . 24.6 pt-20 -37.03 -46.39 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -55.42 -50.98 68.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' TRP . 53.0 tp -69.06 -58.65 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' LEU . 62.2 mtt180 -35.42 -47.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.526 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 1.3 t80 -64.39 -43.05 95.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CZ3' HD21 ' A' ' 23' ' ' LEU . 57.4 t90 -56.82 -54.05 50.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.492 HD23 ' NE ' ' A' ' 29' ' ' ARG . 48.0 mt -57.55 -41.96 82.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.03 -43.0 66.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.459 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 85.5 t -58.98 -48.38 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 65.9 mm-40 -58.14 -54.86 42.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.4 t70 -58.99 -45.69 89.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASP . 22.9 tp -37.62 -57.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -46.8 -48.46 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -52.45 -45.45 66.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -52.03 141.45 29.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 165.15 31.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.352 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.7 tp -51.51 -30.46 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -67.7 -30.22 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -115.03 12.82 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -76.34 -56.55 1.5 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 -55.91 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.284 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.5 p -40.56 -36.89 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.4 tpp180 -77.89 -47.03 19.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ARG . 38.1 t -32.84 -68.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.43 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 16.3 pt20 -55.78 -47.9 76.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.9 mm-40 -49.26 -62.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.7 mt -49.62 -41.15 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.503 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.74 -19.69 61.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.516 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 25.0 mt-30 -92.45 -2.51 56.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.51 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 22.0 tt0 -98.97 -45.22 6.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD2' ' CB ' ' A' ' 80' ' ' SER . 0.8 OUTLIER -118.02 -40.98 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.503 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 31.6 mt -82.14 17.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.516 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -116.14 151.18 46.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -53.19 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -91.42 53.29 3.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -123.31 155.18 65.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.78 -52.3 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.578 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 11.7 m -85.22 18.01 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 78' ' ' ALA . . . -46.87 104.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.9 pt -91.47 -178.01 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -127.58 131.18 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -122.5 153.4 39.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -58.63 145.68 38.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -47.9 -39.53 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -68.37 -60.51 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 m -52.92 -57.13 11.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -46.53 -56.75 5.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -44.23 -50.78 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -59.32 -55.89 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.5 m -50.89 -62.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 m -41.44 -40.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -72.37 -43.26 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -60.5 -43.85 96.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 97' ' ' LYS . 83.5 t -41.62 -42.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 96' ' ' VAL . 9.3 mptt -32.1 -49.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 98' ' ' GLU . 2.0 pp20? -110.33 112.24 57.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 127.67 14.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.01 -138.87 3.28 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -117.97 -34.58 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -104.09 17.29 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.0 m -54.41 -46.44 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -99.93 17.86 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.89 -42.7 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -64.91 -64.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.9 -46.84 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 51.8 tt0 -51.58 -38.59 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.472 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 26.2 tt0 -71.46 -46.22 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -53.03 -55.37 24.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 47.8 mm -60.18 -42.78 91.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.4 t80 -55.61 -56.14 23.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.0 mtmp? -56.1 -13.59 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.456 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 1.9 tp -94.89 -69.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 62.0 mtm -42.92 -36.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 117' ' ' SER . 13.9 ptmt -48.79 -50.22 35.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.506 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 33.7 t -117.94 15.94 14.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.456 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 11.2 t70 -105.28 -59.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.553 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 12.1 p -94.75 -54.54 3.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.571 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 2.9 t80 -35.22 -49.86 1.21 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.659 0.742 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.553 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.9 Cg_exo -47.94 -55.86 3.63 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.718 2.278 . . . . 0.0 112.375 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -56.79 -42.56 79.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.52 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 7.8 t80 -45.73 -47.96 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 120' ' ' TYR . 5.2 mp -59.29 -43.61 90.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.07 -42.36 89.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.6 t -60.05 142.61 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 8.7 t -64.26 -39.53 94.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.45 -40.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.454 ' CZ ' HD13 ' A' ' 133' ' ' LEU . 3.4 t80 -76.79 -45.98 26.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -59.9 -55.62 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 7.9 pt-20 -40.19 -42.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 32.5 mt -58.9 -50.81 72.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.454 HD13 ' CZ ' ' A' ' 129' ' ' TYR . 11.4 mt -58.38 -61.2 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.2 t -53.97 -52.87 59.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 84.28 82.59 1.0 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -9.05 25.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 53.4 p -57.03 150.03 17.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 30.4 t -85.01 138.0 32.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -145.76 165.31 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -88.66 -60.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.61 140.48 3.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -100.34 -37.96 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.905 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -77.69 154.24 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.0 63.94 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -110.55 -37.95 5.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -51.52 -55.97 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -55.45 -49.93 71.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 11' ' ' ARG . 35.6 ttp180 -57.62 -35.63 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.557 HG11 ' CZ3' ' A' ' 15' ' ' TRP . 77.6 t -59.67 -61.1 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' TRP . 2.5 ttpm? -50.49 -47.61 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' LYS . 13.7 mmt-85 -37.02 -32.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CZ3' HG11 ' A' ' 12' ' ' VAL . 11.3 m0 -66.4 -51.06 60.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' A' ' 18' ' ' GLY . . . -43.12 -19.52 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' TRP . 90.2 m-85 -76.44 13.71 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.383 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 16' ' ' GLY . . . 122.54 161.44 11.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.543 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.534 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 26.7 ttp -61.62 -44.09 97.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -37.87 -42.31 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -70.52 -40.77 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -67.43 -35.97 80.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.516 HD22 ' CZ3' ' A' ' 48' ' ' TRP . 58.5 mt -65.8 -53.53 39.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 10.8 pttt -51.82 -30.37 23.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 38.2 m-20 -96.18 143.68 26.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 0.0 110.849 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.629 2.219 . . . . 0.0 112.377 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 94.7 t -62.71 -61.91 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.99 -30.14 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.8 mtp-105 -65.06 -49.94 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 10.7 pt-20 -69.58 -44.62 70.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 19.1 mm100 -50.9 -60.75 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 35.9 t80 -54.64 -40.55 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.5 tp -58.49 -55.48 34.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LEU . 39.0 mttt -36.77 -61.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -49.05 -51.08 33.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 8.0 mp -51.46 -57.68 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -40.67 -46.56 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -56.97 -48.04 79.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.615 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.8 pt-20 -83.61 15.7 3.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.615 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER 50.75 45.7 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.1 m -118.01 -18.55 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 p -41.96 -34.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -46.2 -41.86 13.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -57.93 -54.15 50.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' TRP . 60.2 tp -67.79 -58.28 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LEU . 6.5 mtp-105 -34.4 -41.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.498 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 10.6 t80 -70.61 -46.64 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.516 ' CZ3' HD22 ' A' ' 23' ' ' LEU . 55.0 t90 -50.42 -58.15 6.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.36 -45.08 84.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.61 -41.22 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.33 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.25 -46.83 82.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' LEU . 8.1 m-20 -72.73 -41.11 65.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' ASP . 28.7 tp -36.78 -66.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 0.6 OUTLIER -51.54 -42.13 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -58.9 -37.18 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' NH1' ' HD3' ' A' ' 65' ' ' ARG . 17.9 mmt85 -53.45 149.44 14.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' VAL . 52.9 Cg_endo -69.82 161.71 44.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -52.23 -36.34 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -66.47 -28.91 68.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -115.35 14.64 16.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.508 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -78.94 -58.34 0.71 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.77 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -48.06 -37.3 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' VAL . 7.4 tpt180 -75.42 -45.65 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' ARG . 17.2 t -33.45 -61.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 13.5 pt20 -60.78 -49.88 75.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 60.6 mm-40 -44.35 -62.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.7 mt -48.96 -43.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.568 ' CE3' HG22 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -71.16 -19.57 62.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.518 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 36.3 mt-30 -93.74 -2.61 53.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.1 tp10 -97.37 -47.65 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -117.98 -37.96 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 70' ' ' TRP . 21.1 mt -83.54 17.99 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -116.1 149.55 43.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -53.2 0.28 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.57 43.74 3.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -114.51 154.98 46.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.548 0.69 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.78 -51.73 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 5.8 m -86.0 17.98 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 78' ' ' ALA . . . -45.85 107.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 80' ' ' SER . 11.5 pt -91.95 -178.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -129.54 136.89 50.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 36.8 mt -130.45 171.38 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -70.39 167.72 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.5 t -67.6 -43.98 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -70.03 -42.76 72.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.3 m -68.28 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -42.62 -53.85 4.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -49.53 -61.96 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -44.89 -49.15 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.6 m -60.58 -59.24 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.9 m -38.19 -45.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -70.86 -48.65 52.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -53.39 -40.65 65.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.568 HG22 ' CE3' ' A' ' 70' ' ' TRP . 91.8 t -44.51 -56.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.481 ' N ' ' HE2' ' A' ' 97' ' ' LYS . 0.6 OUTLIER -34.94 -36.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' VAL . 13.6 mt-10 -95.37 106.14 24.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.678 0.751 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 114.03 3.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.88 -150.85 5.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.469 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 41.3 mtm180 -116.09 -37.0 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -109.7 17.81 20.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.6 m -54.78 -33.42 61.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -98.92 18.01 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -52.74 -53.46 47.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -53.67 -60.83 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 110' ' ' HIS . . . -46.97 -60.14 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.496 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 60.1 tt0 -39.82 -39.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -72.66 -40.97 65.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' ALA . 19.9 t60 -57.99 -52.46 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.26 -42.51 95.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 6.1 t80 -54.42 -57.49 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.459 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 44.6 mtmt -55.89 -16.38 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.482 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 0.6 OUTLIER -90.85 -72.75 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.448 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 35.3 mtm -41.02 -43.64 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.9 ptmt -42.05 -46.64 4.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.491 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 32.3 t -117.18 17.51 14.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 114' ' ' LEU . 1.3 t70 -98.55 -64.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.555 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -97.93 -52.51 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.764 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.534 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -32.9 -50.78 0.63 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.945 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.555 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.8 Cg_exo -48.01 -59.85 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mtp-105 -68.07 -43.85 77.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.2 -48.95 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 53.4 mt -56.44 -43.72 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.17 -41.46 98.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.5 t -59.64 136.98 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' ALA . 32.7 t -53.11 -35.46 59.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.05 -42.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.57 ' CE2' HD12 ' A' ' 133' ' ' LEU . 5.7 t80 -68.72 -49.78 56.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' GLU . 39.1 mm-40 -59.9 -38.55 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' GLN . 6.7 mm-40 -35.19 -45.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.63 -50.1 54.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 129' ' ' TYR . 18.5 mt -52.59 -59.64 4.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.1 t -55.2 -43.52 74.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 136.26 134.72 3.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -33.82 15.83 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.2 p -89.8 -47.68 7.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 56.2 m -88.23 163.62 16.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -139.18 144.69 38.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -52.15 -47.78 65.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.3 -98.88 0.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 m -139.5 135.64 33.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.864 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.4 p -46.24 -47.11 18.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.06 68.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -49.12 73.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.763 0.316 . . . . 0.0 110.865 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -42.61 -43.59 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -66.46 -44.6 82.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -51.95 -45.54 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.52 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 81.3 t -50.15 -59.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -40.33 -40.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -51.8 -42.33 62.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.52 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 5.8 m0 -57.91 -21.76 45.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.83 34.94 1.64 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.553 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 15' ' ' TRP . 32.2 m-85 -141.48 102.39 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.59 -166.85 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' ASP . 8.5 ttp -92.02 -44.26 8.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.77 0.319 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' MET . 2.0 m-20 -36.64 -51.15 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.4 -61.29 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.42 -41.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.591 HD12 ' CH2' ' A' ' 48' ' ' TRP . 8.1 mt -71.07 -50.61 31.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' LEU . 6.6 mtpm? -36.09 -62.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.97 143.65 96.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -50.1 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.7 -43.09 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.38 -26.82 59.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -69.07 -47.24 65.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.743 0.306 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.9 pt-20 -73.04 -46.92 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 40.4 mm-40 -54.84 -57.69 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.507 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 49.7 t80 -55.3 -39.01 69.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.1 tp -60.5 -57.09 14.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 51.3 mttt -34.46 -60.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -46.44 -43.6 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 119' ' ' SER . 56.8 mt -55.24 -60.72 3.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' OE2' ' NH2' ' A' ' 46' ' ' ARG . 62.5 mt-10 -36.86 -41.65 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -57.77 -56.61 19.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -74.29 4.56 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 52.39 44.23 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.442 ' O ' ' OD1' ' A' ' 44' ' ' ASN . 67.3 m -116.91 -24.22 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 43' ' ' GLU . 19.6 p -41.41 -31.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 42' ' ' SER . 5.4 pt-20 -33.29 -38.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.46 ' HB2' ' CG2' ' A' ' 111' ' ' ILE . 0.8 OUTLIER -72.62 -58.53 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -49.51 -46.37 48.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' NH2' ' OE2' ' A' ' 37' ' ' GLU . 15.5 mmt180 -46.49 -59.42 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.582 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.3 t80 -58.46 -44.81 89.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.591 ' CH2' HD12 ' A' ' 23' ' ' LEU . 69.0 t90 -49.91 -49.33 50.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.3 -44.85 74.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.96 -41.82 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' GLU . 60.8 t -58.74 -60.52 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' VAL . 59.1 mm-40 -37.0 -51.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -62.86 -52.35 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 53' ' ' ASP . 63.6 tp -33.03 -49.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -59.59 -47.86 83.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 20.2 mmmt -64.62 -35.63 81.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.28 147.52 13.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 158.73 56.01 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 60' ' ' LYS . 5.5 tp -52.42 -34.45 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' HG23 ' A' ' 59' ' ' ILE . 8.2 ptpp? -64.15 -30.67 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -111.6 13.3 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.501 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.92 -58.58 2.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.78 -52.4 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.4 m -43.28 -34.45 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.5 tpt180 -79.77 -46.63 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' ARG . 36.1 t -33.74 -64.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 21.4 pt20 -61.79 -47.53 84.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 40.0 mm-40 -44.95 -63.53 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.5 mt -49.19 -40.83 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.65 -16.54 59.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.52 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 29.1 mt-30 -92.69 -1.95 56.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -112.99 -35.4 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 18.2 m-85 -115.22 -49.46 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.584 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 52.8 mt -84.03 17.96 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.52 ' CB ' ' HA ' ' A' ' 71' ' ' GLN . . . -116.26 142.65 29.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 111.165 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.34 69.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.312 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.36 6.72 8.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.449 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 75' ' ' ALA . . . -73.92 158.56 85.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.5 Cg_endo -69.75 -49.55 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.476 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 9.8 m -99.71 17.53 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -46.38 102.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.7 pt -80.55 179.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.07 130.67 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mt -129.79 158.34 39.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.412 ' OD2' ' CE1' ' A' ' 110' ' ' HIS . 1.6 m-20 -57.84 165.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.8 t -66.39 -46.05 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -64.71 -41.66 95.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -70.36 -53.12 17.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -56.89 -50.51 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.59 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 3.2 m-20 -50.27 -54.61 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -54.02 -61.41 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.4 m -42.53 -55.74 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 m -48.66 -59.29 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 90' ' ' ASP . 91.5 m-70 -49.11 -30.34 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -84.74 -34.9 22.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.565 HG23 ' CE3' ' A' ' 70' ' ' TRP . 52.2 t -40.87 -65.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -33.01 -36.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 96' ' ' VAL . 5.1 mm-40 -93.52 107.12 24.25 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.696 0.76 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 119.76 6.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.27 -153.39 5.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -116.01 -32.68 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -110.08 17.98 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 77.6 m -56.13 -40.1 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -99.34 17.26 20.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -52.93 -61.43 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -46.93 -55.48 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.99 -51.98 37.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -44.44 -37.32 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 15.2 tt0 -71.23 -49.03 47.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.412 ' CE1' ' OD2' ' A' ' 85' ' ' ASP . 9.2 t60 -49.0 -48.62 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 44' ' ' ASN . 45.7 mm -66.94 -40.9 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 2.3 t80 -55.31 -51.75 65.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.485 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.2 mtmp? -62.43 -10.93 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.516 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -94.83 -64.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.446 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 38.1 mtm -51.09 -30.29 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.7 ptmt -55.56 -45.28 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.487 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.9 t -116.11 17.82 15.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.516 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -106.35 -62.84 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.554 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 74.7 m -95.6 -54.47 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.59 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 17.5 t80 -34.91 -49.98 1.08 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.654 0.74 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 66.2 Cg_exo -48.03 -63.18 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 125' ' ' ARG . 60.7 mtt180 -57.76 -48.55 79.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 73.6 t80 -40.76 -47.51 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 51.0 mm -58.96 -36.93 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.498 ' HD2' ' N ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -75.56 -42.4 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.6 t -55.21 155.41 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.3 m -83.14 -33.73 26.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -36.61 -41.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.524 ' CE2' HD11 ' A' ' 133' ' ' LEU . 8.8 t80 -67.56 -50.13 59.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 131' ' ' GLU . 33.4 mm-40 -59.35 -36.95 76.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 130' ' ' GLN . 13.1 mm-40 -36.95 -51.97 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.456 ' H ' ' CD2' ' A' ' 132' ' ' LEU . 1.7 mm? -64.76 -48.64 73.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.524 HD11 ' CE2' ' A' ' 129' ' ' TYR . 11.1 mt -43.56 -58.43 2.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.7 t -69.85 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 108.97 -100.85 1.43 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 122.63 9.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.26 . . . . 0.0 112.309 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.6 p -47.69 -47.76 29.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.7 p -88.84 -47.45 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.538 -179.932 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -94.95 -56.25 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -81.68 -56.13 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.43 87.98 0.78 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -68.81 127.76 34.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -93.86 -43.94 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.45 46.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.3 m -59.31 -46.13 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -46.42 -49.65 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -60.6 -43.69 97.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -56.75 -49.39 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.501 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 99.5 t -48.32 -59.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' TRP . 3.2 ttpm? -44.24 -45.88 8.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 7.6 tpt85 -37.58 -31.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.501 ' CZ2' ' HA ' ' A' ' 12' ' ' VAL . 4.1 m0 -73.38 -56.72 4.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -36.54 -34.97 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 14' ' ' ARG . 59.1 m-85 -46.7 -44.9 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.607 ' HA2' ' CE1' ' A' ' 120' ' ' TYR . . . 176.38 156.37 15.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' ASP . 28.8 ttp -48.58 -59.77 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' MET . 10.0 m-20 -32.11 -39.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' MET . 5.8 mm-40 -80.62 -59.28 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.95 -36.54 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.521 HD11 ' CH2' ' A' ' 48' ' ' TRP . 46.9 mt -64.59 -56.65 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 2.1 pttt -39.08 -36.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.479 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 13.5 t70 -87.93 140.94 31.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.848 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.77 -46.69 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.79 -47.26 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.61 -28.06 64.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -66.13 -47.95 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.05 -41.19 62.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -56.97 -58.28 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.573 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 50.9 t80 -53.4 -36.49 61.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.2 tp -62.65 -57.46 10.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 36.4 mttm -36.97 -57.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 32.6 t80 -49.33 -54.72 15.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 32' ' ' PHE . 58.2 mt -47.73 -55.84 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' LEU . 18.7 mt-10 -34.3 -42.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 35' ' ' PHE . 15.2 t -57.69 -55.49 34.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.6 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.3 pm0 -80.11 17.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER 49.68 32.37 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 t -105.17 -14.39 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.487 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 86.1 p -42.02 -38.55 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -50.89 -41.41 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -49.02 -51.43 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 46' ' ' ARG . 15.5 tp -77.25 -45.75 25.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 45' ' ' LEU . 8.5 mmm180 -37.32 -61.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.511 ' CZ ' ' HB1' ' A' ' 107' ' ' ALA . 5.8 t80 -52.18 -46.17 65.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.521 ' CH2' HD11 ' A' ' 23' ' ' LEU . 16.6 t90 -52.11 -60.02 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.5 mt -55.34 -45.56 76.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.72 -42.37 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.0 t -70.21 -56.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 5.7 mm-40 -44.13 -44.41 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.3 t70 -80.56 -42.61 22.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 23.4 tp -34.48 -63.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -46.7 -45.59 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 32.3 mmtp -51.73 -42.8 62.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 4.9 mmp_? -51.94 153.31 4.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.09 28.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.293 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.67 -29.87 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.529 ' N ' HG22 ' A' ' 59' ' ' ILE . 15.9 ptpt -69.39 -30.77 68.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -113.14 11.87 18.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.488 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -76.46 -58.96 1.1 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.73 -50.65 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.6 m -44.99 -38.68 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.0 tpt180 -78.2 -45.36 23.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' ARG . 25.1 t -34.62 -63.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 12.2 pt20 -59.6 -52.83 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 7.5 mm-40 -41.79 -58.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.0 mt -51.3 -50.02 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.501 ' HA ' ' HB2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.59 -12.67 61.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.525 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 27.9 mt-30 -94.39 -3.68 49.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -115.31 -37.89 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 30.0 m-85 -111.65 -46.32 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.501 ' HB2' ' HA ' ' A' ' 70' ' ' TRP . 19.8 mt -89.76 21.63 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.525 ' HB2' ' C ' ' A' ' 71' ' ' GLN . . . -118.07 142.83 31.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 111.102 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 153.37 68.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.33 13.23 9.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 75' ' ' ALA . . . -78.9 157.5 76.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.21 3.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.5 p -108.0 17.94 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -49.76 109.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.6 pt -83.41 -179.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -128.59 139.78 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.5 mt -134.68 175.97 9.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.454 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 7.4 t0 -73.7 164.38 26.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -65.15 -42.36 93.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -71.37 -42.88 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -65.86 -58.28 5.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -45.4 -47.64 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.96 -52.02 53.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -53.55 -49.47 67.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.6 m -58.1 -65.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.1 m -37.83 -56.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 17.6 m-70 -59.9 -46.42 89.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -56.52 -40.41 74.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 97' ' ' LYS . 65.7 t -44.4 -44.56 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 96' ' ' VAL . 2.6 mptm? -33.45 -49.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -112.23 114.13 51.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.92 13.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.54 -141.62 3.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -117.43 -35.16 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -109.05 17.96 21.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.9 m -56.07 -37.02 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -99.95 17.25 21.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.36 -53.62 42.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -51.47 -65.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -50.61 -51.33 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.441 ' NE2' ' HG2' ' A' ' 52' ' ' GLU . 52.3 tt0 -49.86 -39.0 37.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.94 -44.18 55.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 64.0 t60 -53.75 -47.54 70.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 48.0 mm -67.14 -49.12 75.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.44 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 69.2 t80 -44.78 -62.21 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 18.1 mtmt -48.52 -36.49 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.0 tp -66.44 -65.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 116' ' ' LYS . 69.4 mtm -43.98 -41.02 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 120' ' ' TYR . 25.3 mtpt -33.63 -67.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 17.3 t -114.25 18.01 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 28.9 t70 -97.97 -68.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.538 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 3.0 p -92.76 -48.48 6.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.607 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 3.4 t80 -36.18 -49.62 1.68 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.538 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.5 Cg_exo -48.06 -56.4 3.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 125' ' ' ARG . 22.6 mmm-85 -55.12 -52.55 62.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 42.6 t80 -36.2 -53.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.47 HD13 ' CZ ' ' A' ' 120' ' ' TYR . 82.1 mt -61.6 -41.24 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 122' ' ' ARG . 19.3 mmm180 -58.27 -49.58 76.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 m -60.59 175.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 128' ' ' ALA . 21.8 m -94.37 -29.81 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.69 -40.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.563 ' CE1' HD11 ' A' ' 133' ' ' LEU . 2.5 t80 -73.26 -48.87 31.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -57.92 -34.87 70.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -38.75 -64.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -48.0 -52.87 18.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 129' ' ' TYR . 17.7 mt -48.06 -58.23 4.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.6 t -57.48 -47.36 82.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.18 64.94 2.27 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.54 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 51.5 m -141.9 173.08 11.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.9 t -105.75 128.38 53.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t 52.12 42.76 30.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 0.0 110.859 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -114.87 174.3 6.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.59 -33.8 12.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -81.37 15.59 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -61.41 -47.45 85.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.09 110.34 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m -104.09 -37.93 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' OE1' ' NE2' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -47.16 -57.69 4.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.413 ' NE2' ' OE1' ' A' ' 9' ' ' GLN . 2.0 mp0 -50.94 -36.44 38.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -72.38 -40.41 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG23 ' CZ3' ' A' ' 15' ' ' TRP . 82.7 t -57.83 -60.46 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . 20.8 tptm -40.91 -43.31 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -45.58 -41.61 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.571 ' CZ3' HG23 ' A' ' 12' ' ' VAL . 3.7 m0 -65.97 -29.25 69.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -77.9 33.27 1.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.421 ' H ' ' C ' ' A' ' 15' ' ' TRP . 11.2 m-85 -117.94 -34.06 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.94 148.37 5.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.4 ttp -38.3 -50.32 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -40.27 -51.97 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.23 -59.39 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.85 -42.87 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.562 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 18.0 mt -65.62 -47.15 76.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -44.92 -51.59 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.93 142.1 72.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.652 0.739 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.254 . . . . 0.0 112.305 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.1 t -65.75 -39.76 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.87 -25.65 67.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -68.57 -48.25 64.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 9.1 pt-20 -71.9 -44.19 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 46.7 mm-40 -52.7 -59.89 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.423 ' CE1' HD22 ' A' ' 36' ' ' LEU . 16.7 t80 -53.77 -36.58 62.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.52 -54.65 36.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -39.57 -54.32 2.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 123' ' ' PHE . 55.0 t80 -51.29 -44.52 61.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 119' ' ' SER . 60.6 mt -55.69 -55.58 30.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -38.66 -46.66 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -54.28 -55.76 25.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.614 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.2 pt-20 -81.28 15.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.614 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 50.55 40.3 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.4 m -117.8 17.29 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.1 p -68.5 -42.65 78.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' ASN . 56.1 mt-10 -40.83 -58.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' GLU . 28.1 m-20 -35.92 -58.63 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 46' ' ' ARG . 44.1 tp -69.63 -56.84 6.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 45' ' ' LEU . 16.8 mtp85 -36.85 -44.81 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.489 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 4.5 t80 -65.34 -56.85 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 10.5 t90 -43.33 -54.59 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.4 mt -53.94 -46.34 71.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.11 -45.23 32.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.451 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 87.4 t -64.67 -50.65 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -44.26 -40.48 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -82.22 -39.59 22.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 48.3 tp -36.63 -65.14 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -51.66 -40.25 59.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -61.52 -39.14 89.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 30.0 mmt180 -53.08 148.24 15.13 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 160.13 50.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 60' ' ' LYS . 6.0 tp -51.19 -31.82 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' N ' HG21 ' A' ' 59' ' ' ILE . 12.1 ptpt -67.57 -30.09 69.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -115.46 10.61 15.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.12 -58.33 3.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.652 0.739 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.76 -51.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 m -45.27 -34.22 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.5 tpt180 -80.71 -40.56 25.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' ARG . 38.1 t -36.3 -67.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 19.4 pt20 -57.02 -47.06 81.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLN . 61.9 mm-40 -48.88 -68.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.2 mt -43.09 -38.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.531 ' CZ3' ' HA ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -75.35 -31.27 60.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 41.1 mt-30 -82.18 -2.73 53.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.588 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 23.4 tt0 -95.89 -52.96 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.607 ' CD2' ' HB3' ' A' ' 80' ' ' SER . 0.6 OUTLIER -111.79 -38.19 4.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 70' ' ' TRP . 49.8 mt -82.89 17.99 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 71' ' ' GLN . . . -114.75 144.77 32.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 111.088 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.07 38.91 3.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -108.28 158.02 34.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.607 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 5.6 m -92.78 17.98 9.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.39 109.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 80' ' ' SER . 6.9 pt -91.06 -177.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -126.1 118.35 25.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.3 mt -113.34 159.31 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.16 176.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.0 p -76.04 -38.23 57.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -74.88 -56.04 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 t -53.63 -52.89 58.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.05 -47.13 84.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -57.33 -51.62 68.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -60.94 -45.45 94.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' THR . 91.9 m -62.77 -63.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.531 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 58.8 m -34.68 -54.98 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -60.89 -55.26 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -46.95 -44.44 20.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 104' ' ' PHE . 92.1 t -42.19 -43.13 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' VAL . 22.0 mmtt -35.31 -42.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -104.38 114.74 63.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 129.72 18.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.23 -147.68 4.65 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -115.4 -37.32 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -109.44 17.42 21.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.7 m -53.91 -42.33 68.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 96' ' ' VAL . 87.3 m-85 -95.53 17.91 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -51.61 -57.32 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.03 -64.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.02 -42.6 60.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.451 ' NE2' ' HB ' ' A' ' 51' ' ' VAL . 6.3 tp60 -56.61 -42.61 79.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -68.62 -42.84 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -51.88 -60.17 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.437 HG22 ' CE ' ' A' ' 115' ' ' MET . 46.2 mm -55.13 -44.33 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 5.4 t80 -52.99 -57.85 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.416 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 7.5 mtmp? -55.91 -16.29 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.51 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 2.2 tp -92.72 -68.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.437 ' CE ' HG22 ' A' ' 111' ' ' ILE . 61.2 mtm -41.94 -39.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 117' ' ' SER . 7.0 ptmm? -48.64 -50.14 34.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.511 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 2.8 m -117.34 17.6 14.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.51 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -102.65 -60.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.567 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 18.0 m -96.87 -54.17 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.542 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -33.99 -50.07 0.86 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.567 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.5 Cg_exo -47.97 -63.44 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.353 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 125' ' ' ARG . 26.6 mtt180 -55.12 -50.22 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.476 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 29.7 t80 -38.94 -41.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 42.1 mm -70.48 -37.47 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 122' ' ' ARG . 11.1 mmt180 -57.12 -54.59 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 t -53.43 163.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' GLN . 3.5 m -83.11 -36.34 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -35.86 -47.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.474 ' CE1' HD13 ' A' ' 133' ' ' LEU . 1.8 t80 -64.24 -44.62 91.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' SER . 41.5 mm-40 -60.58 -41.67 95.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.17 -56.16 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 20.1 mt -51.91 -50.51 60.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.474 HD13 ' CE1' ' A' ' 129' ' ' TYR . 2.5 mt -47.3 -70.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.408 ' O ' ' OG ' ' A' ' 134' ' ' SER . 12.5 t 62.61 32.0 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -135.73 77.89 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 84.83 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.682 2.254 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 34.9 t -145.66 126.94 14.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.7 t -57.17 -44.58 83.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.751 0.31 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.63 -42.49 96.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -61.67 -47.95 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.819 HG21 ' HB3' ' A' ' 132' ' ' LEU . 91.2 t -48.72 -55.71 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' GLY . 22.3 tptt -36.48 -46.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 mmt-85 -43.09 -46.9 5.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.763 ' CE3' HG13 ' A' ' 12' ' ' VAL . 1.7 m0 -62.35 -29.8 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -71.04 4.33 10.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -97.22 -41.23 8.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 175.42 143.9 4.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' GLY . 38.2 ttp -35.11 -45.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' MET . 19.9 m-20 -36.02 -63.76 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.54 -51.72 68.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.09 -39.24 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD22 ' HZ3' ' A' ' 48' ' ' TRP . 13.0 mt -68.67 -49.77 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -60.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -73.15 144.96 85.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.64 -39.72 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.68 -31.03 79.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 42.6 mtt180 -66.55 -48.89 68.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 15.2 pt-20 -72.12 -44.68 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 81.5 mm-40 -52.58 -59.86 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.502 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 17.0 t80 -54.97 -37.85 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 36' ' ' LEU . 1.4 tp -61.86 -53.92 49.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' LEU . 52.9 mttt -35.13 -59.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -49.98 -42.03 48.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 33' ' ' LEU . 57.8 mt -55.16 -62.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -39.04 -46.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.9 t -54.15 -48.34 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -85.11 12.64 7.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 52.13 39.58 26.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' SER . 51.1 m -114.15 -24.37 9.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.488 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 94.8 p -35.26 -42.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' SER . 7.1 pt-20 -33.79 -46.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.03 -55.38 31.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 46' ' ' ARG . 48.5 tp -64.64 -58.89 5.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' LEU . 16.5 mtp180 -35.54 -48.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 8.6 t80 -62.43 -49.51 75.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.575 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 7.5 t90 -49.13 -62.53 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.7 mt -49.19 -50.44 37.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.47 -39.88 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.69 -58.21 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -45.32 -41.27 8.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -79.95 -40.97 26.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 69' ' ' ILE . 66.8 tp -33.38 -63.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.16 -45.21 43.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 53' ' ' ASP . 7.2 mmpt? -51.44 -43.03 61.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mmp_? -52.36 150.45 8.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.67 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.77 166.84 26.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.228 . . . . 0.0 112.371 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 tp -56.24 -31.3 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -70.6 -32.94 70.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -108.27 9.91 27.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -75.84 -58.74 1.29 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.72 -51.36 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.4 m -44.99 -37.18 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.4 tpt180 -77.52 -45.03 26.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.555 HG21 ' CB ' ' A' ' 99' ' ' PRO . 27.2 t -33.25 -67.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 24.0 pt20 -56.71 -47.28 80.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.42 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 59.8 mm-40 -48.93 -62.25 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.528 ' CD1' HD13 ' A' ' 54' ' ' LEU . 46.7 mt -49.76 -40.57 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.571 ' CE3' HG21 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -73.34 -20.68 60.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.917 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.9 mt-30 -93.12 -1.81 56.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 4.7 tp10 -97.49 -47.64 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -117.98 -38.04 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 70' ' ' TRP . 35.6 mt -83.32 18.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.917 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -117.13 150.09 45.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.578 0.704 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -52.64 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.74 48.71 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.515 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -119.12 156.11 52.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.0 Cg_endo -69.8 -52.08 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.543 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 7.6 m -86.57 18.01 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.77 106.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.588 HG23 ' HB3' ' A' ' 73' ' ' PHE . 20.4 pt -89.55 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -132.23 131.0 41.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.443 HD21 HD11 ' A' ' 111' ' ' ILE . 9.7 mt -129.87 157.59 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.25 168.42 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.3 t -68.11 -57.67 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -53.36 -43.78 68.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.8 p -69.16 -59.04 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -48.87 -47.44 42.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.07 -50.74 66.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -56.18 -46.3 79.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.0 m -59.16 -62.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.1 m -40.64 -40.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -70.22 -44.52 68.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -60.65 -43.33 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.571 HG21 ' CE3' ' A' ' 70' ' ' TRP . 92.1 t -43.01 -44.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 96' ' ' VAL . 2.4 mptm? -32.26 -49.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -111.01 112.05 55.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.555 ' CB ' HG21 ' A' ' 66' ' ' VAL . 53.5 Cg_endo -69.73 134.29 27.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.16 -138.46 2.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -117.43 -35.75 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -110.84 17.91 20.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.963 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.9 m -56.67 -39.8 74.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -100.16 17.98 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -56.77 -45.72 81.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -52.93 -63.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.95 -48.07 32.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.575 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 9.0 tt0 -44.88 -38.14 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.509 ' HG3' ' CD ' ' A' ' 113' ' ' LYS . 14.5 tt0 -68.25 -57.34 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -47.51 -60.91 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.476 HG22 ' CE ' ' A' ' 115' ' ' MET . 42.8 mm -54.52 -54.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 2.0 t80 -49.01 -50.96 33.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.509 ' CD ' ' HG3' ' A' ' 109' ' ' GLU . 26.2 mtpt -61.3 -16.56 47.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 1.9 tp -92.91 -68.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.476 ' CE ' HG22 ' A' ' 111' ' ' ILE . 48.2 mtm -42.5 -39.08 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 117' ' ' SER . 5.1 ptmm? -47.73 -49.73 27.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.551 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 2.8 m -117.76 17.13 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.499 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -102.1 -61.47 1.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.576 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 14.7 m -97.04 -53.32 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.687 ' O ' HD12 ' A' ' 124' ' ' ILE . 2.8 t80 -34.56 -49.86 0.99 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.692 0.758 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.4 Cg_exo -47.94 -55.67 3.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 125' ' ' ARG . 94.8 mtt-85 -54.37 -47.16 72.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.502 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 4.1 t80 -40.27 -44.23 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.3 mp -68.75 -37.52 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 122' ' ' ARG . 15.7 mmm180 -64.33 -47.9 77.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t -64.94 176.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.1 t -96.65 -31.06 12.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -36.68 -44.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -47.62 68.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -56.56 -38.98 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -38.94 -59.83 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.819 ' HB3' HG21 ' A' ' 12' ' ' VAL . 2.0 mm? -48.37 -56.19 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.784 0.326 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -67.13 -50.64 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -49.41 -46.06 47.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.523 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 73.0 t -48.79 -60.76 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB2' HD21 ' A' ' 133' ' ' LEU . 18.1 ttpt -45.98 -34.86 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -46.86 -34.8 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.523 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 4.5 m0 -69.73 -28.49 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.65 28.33 1.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' A' ' 15' ' ' TRP . 14.9 m-85 -116.59 16.3 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 117.11 138.38 6.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.53 ' HG2' HD11 ' A' ' 23' ' ' LEU . 18.5 ttp -34.2 -47.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' MET . 7.8 p-10 -37.29 -53.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 80.9 mm-40 -65.78 -63.04 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.24 -51.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.702 HD13 ' CH2' ' A' ' 48' ' ' TRP . 36.2 mt -54.74 -56.21 21.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 21.7 mttm -38.11 -58.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.94 143.96 87.24 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.274 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.77 -50.2 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.86 -29.52 42.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.515 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' NE ' HD21 ' A' ' 49' ' ' LEU . 17.0 mtt180 -67.55 -49.68 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.7 pt-20 -71.64 -44.52 64.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 85.1 mm-40 -57.11 -59.58 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 24.2 t80 -52.95 -35.17 58.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.8 tp -64.42 -54.05 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . 60.7 mttt -34.52 -55.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -54.96 -50.54 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 40.9 mt -43.05 -54.61 4.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -43.65 -44.29 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.2 t -57.08 -47.28 81.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -84.87 10.61 11.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 52.65 39.49 28.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' SER . 78.1 p -113.67 -21.2 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.494 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 76.1 p -37.21 -46.28 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 44' ' ' ASN . 9.3 pt-20 -39.97 -45.5 1.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 11.5 m-20 -53.28 -48.51 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' ARG . 17.4 tp -72.91 -52.8 13.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' LEU . 25.7 mmt180 -36.52 -48.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 3.0 t80 -64.08 -49.39 72.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.702 ' CH2' HD13 ' A' ' 23' ' ' LEU . 50.1 t90 -47.45 -60.6 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.434 HD21 ' NE ' ' A' ' 29' ' ' ARG . 33.5 mt -53.65 -44.69 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 47' ' ' PHE . . . -46.41 -43.73 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.76 -47.53 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -50.66 -41.36 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' LYS . 7.1 m-20 -79.76 -40.78 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' ASP . 54.6 tp -35.67 -61.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.49 -41.3 40.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ASP . 7.4 mmpt? -60.43 -40.37 90.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 6.5 mmp_? -52.91 149.25 12.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.597 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.74 163.27 38.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.2 tp -55.85 -29.73 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -68.28 -31.4 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -113.85 11.62 17.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.0 t -74.73 -58.79 1.62 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.78 -52.72 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.2 m -43.31 -35.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' VAL . 17.0 mmt-85 -78.96 -39.4 34.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 63' ' ' PRO . 53.7 t -33.08 -68.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.5 pt20 -58.27 -48.55 80.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 54.2 mm-40 -44.18 -62.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.0 mt -48.43 -44.19 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.663 ' CH2' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -72.34 -20.55 61.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.966 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 35.1 mt-30 -92.09 -3.94 55.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.597 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 3.0 tp10 -96.44 -47.16 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.4 OUTLIER -118.0 -39.42 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 70' ' ' TRP . 16.9 mt -82.19 18.05 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.966 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -114.69 151.52 45.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.542 0.687 . . . . 0.0 111.106 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -53.15 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.56 50.82 2.65 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -118.17 156.56 50.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.7 -52.84 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.58 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 8.9 m -87.5 17.86 4.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -44.21 103.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.49 HG23 ' O ' ' A' ' 80' ' ' SER . 6.3 pt -91.71 -178.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -130.2 141.7 50.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 mt -133.26 175.48 9.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -76.52 166.75 22.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 p -67.88 -41.23 83.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -65.65 -41.11 92.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.1 p -75.74 -55.55 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -48.39 -54.24 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.82 -42.19 62.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -64.76 -57.96 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 96' ' ' VAL . 60.6 m -53.77 -61.54 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.663 HG23 ' CH2' ' A' ' 70' ' ' TRP . 6.0 m -39.26 -44.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -70.45 -49.85 44.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.428 ' HB3' HG23 ' A' ' 103' ' ' THR . 73.8 m-20 -52.87 -47.7 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 92' ' ' THR . 88.4 t -37.99 -43.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 96' ' ' VAL . 39.2 mmtt -36.28 -44.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -102.69 116.61 62.41 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.613 0.721 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.486 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.77 113.2 3.3 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.36 -165.26 10.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -97.91 -53.08 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -88.54 17.64 5.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 95' ' ' ASN . 94.1 m -54.36 -48.59 71.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -93.85 16.58 13.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -54.8 -49.35 71.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -60.4 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.78 -43.95 48.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.479 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 17.8 tt0 -52.28 -36.25 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.88 -43.4 62.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -54.5 -57.69 10.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.22 -41.66 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -54.29 -59.13 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 42.7 mtmt -54.4 -17.13 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.3 tp -91.57 -67.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.7 mtm -44.92 -37.94 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.537 ' HG3' ' N ' ' A' ' 117' ' ' SER . 10.2 ptmm? -51.39 -47.97 62.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.537 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 7.1 m -116.89 15.63 15.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' LEU . 0.9 OUTLIER -105.3 -60.2 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.606 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 2.7 m -95.54 -54.36 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.548 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 0.7 OUTLIER -35.83 -48.41 1.42 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.697 0.76 . . . . 0.0 110.936 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.606 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.0 Cg_exo -48.0 -62.12 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.366 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -58.06 -48.47 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 43.7 t80 -40.68 -43.03 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.58 -40.92 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -58.8 -49.65 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.5 t -54.44 168.55 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 1.9 t -90.88 -36.04 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -35.84 -40.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -70.72 -52.41 21.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 131' ' ' GLU . 29.9 mm-40 -53.54 -33.76 55.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 62.8 mm-40 -36.59 -65.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.613 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.0 OUTLIER -45.36 -51.47 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 13' ' ' LYS . 56.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' CD ' ' O ' ' A' ' 133' ' ' LEU . 49.1 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.748 0.308 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.57 -44.77 70.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -62.52 -42.54 99.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.976 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 87.0 t -53.88 -39.25 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ARG . 29.2 tptt -55.95 -51.55 67.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LYS . 9.0 mmt-85 -37.23 -37.88 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.976 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 6.6 m0 -62.79 -51.32 67.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.21 -23.07 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' TRP . 94.1 m-85 -76.28 12.4 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.898 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 115.45 159.78 12.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.577 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 6.8 ttp -54.89 -37.69 66.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -36.72 -48.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.25 -52.08 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.15 -55.26 8.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.834 HD13 ' CH2' ' A' ' 48' ' ' TRP . 47.9 mt -49.12 -48.36 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -52.46 -45.92 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.445 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 2.8 t70 -83.46 142.71 43.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.8 Cg_endo -69.76 -46.55 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 0.0 112.392 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.14 -48.15 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.98 -28.3 60.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -69.1 -48.89 61.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 8.2 pt-20 -69.67 -42.66 73.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 94.3 mm-40 -55.73 -56.72 17.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CE2' HD21 ' A' ' 36' ' ' LEU . 26.1 t80 -55.1 -33.37 62.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.4 tp -67.13 -51.36 54.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 65.6 mttt -34.87 -60.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -54.74 -52.4 62.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 119' ' ' SER . 0.5 OUTLIER -45.12 -55.09 6.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -51.9 -34.99 43.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 t -64.25 -49.62 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -84.11 13.07 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 53.73 43.46 31.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 p -114.53 -18.76 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.9 p -39.86 -37.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 80' ' ' SER . 6.6 pt-20 -38.89 -40.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' C ' ' SD ' ' A' ' 115' ' ' MET . 3.3 m-20 -66.08 -53.08 42.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' N ' ' SD ' ' A' ' 115' ' ' MET . 52.4 tp -67.49 -60.41 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LEU . 49.7 mtt180 -34.93 -42.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 23.1 t80 -68.69 -47.88 65.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.834 ' CH2' HD13 ' A' ' 23' ' ' LEU . 40.5 t90 -48.35 -57.76 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.3 mt -57.54 -45.94 84.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.91 -44.62 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.6 t -71.3 -51.8 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -41.23 -42.93 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 56' ' ' LYS . 30.1 t70 -81.06 -39.57 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 62.2 tp -33.6 -59.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -42.76 58.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 53' ' ' ASP . 26.5 mmtt -60.27 -40.44 90.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -52.0 146.36 15.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.598 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 165.07 32.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.407 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 6.7 tp -54.03 -29.21 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -33.83 72.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -110.37 12.22 23.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -77.15 -59.63 0.87 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.624 0.726 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.494 ' N ' HG12 ' A' ' 62' ' ' VAL . 54.0 Cg_endo -69.79 -54.08 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 p -43.94 -35.19 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 2.9 tpt180 -76.74 -42.92 39.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.475 HG21 ' HA ' ' A' ' 99' ' ' PRO . 42.8 t -34.42 -62.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 19.9 pt20 -63.4 -50.19 70.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 31.9 mm-40 -40.08 -68.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -44.41 -47.5 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.612 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -69.23 -24.14 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.763 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 21.9 mt-30 -81.78 -8.56 59.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.627 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 26.9 tt0 -106.36 -51.03 3.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.566 ' C ' ' H ' ' A' ' 75' ' ' ALA . 10.0 m-85 -98.07 -65.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.514 ' CB ' ' CE3' ' A' ' 70' ' ' TRP . 26.7 mt -67.86 18.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.23 141.61 27.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.131 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.64 52.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.23 . . . . 0.0 112.374 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.88 14.97 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.691 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -81.66 158.43 68.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.7 -47.16 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.286 . . . . 0.0 112.342 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.2 m -100.31 17.97 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -48.82 117.64 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.776 HD12 HD11 ' A' ' 111' ' ' ILE . 15.0 pt -103.09 179.63 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -125.05 135.06 52.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.2 mt -122.51 176.11 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.62 164.58 26.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 m -62.52 -39.87 94.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.6 OUTLIER -76.83 -46.21 25.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.482 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 31.6 m -61.18 -58.72 7.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -51.67 -56.63 12.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -52.04 -53.86 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -56.48 -40.26 74.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' ASN . 99.4 m -66.02 -63.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' THR . 20.3 m -34.95 -44.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -72.01 -44.84 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.5 m-20 -58.46 -39.39 79.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.6 t -40.94 -55.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -34.86 -36.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.428 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 12.4 mt-10 -96.04 105.13 19.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.657 0.741 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.475 ' HA ' HG21 ' A' ' 66' ' ' VAL . 54.4 Cg_endo -69.76 116.65 4.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.0 -151.32 5.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -114.28 -36.13 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -106.07 18.03 22.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.3 m -56.06 -42.08 76.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.511 ' CE1' HD12 ' A' ' 74' ' ' LEU . 81.1 m-85 -97.74 17.4 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -50.05 -56.97 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -49.03 -59.15 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -50.84 -52.9 36.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.556 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 20.3 tt0 -48.89 -38.64 23.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -73.92 -42.8 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -58.11 -44.77 87.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.776 HD11 HD12 ' A' ' 82' ' ' ILE . 48.2 mm -66.84 -44.79 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.0 t80 -53.63 -52.03 61.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.475 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 44.4 mtmt -61.99 -14.2 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 118' ' ' ASP . 0.6 OUTLIER -92.27 -68.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.521 ' CE ' HG22 ' A' ' 111' ' ' ILE . 44.8 mtm -47.86 -34.28 8.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.475 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -53.85 -46.09 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.5 t -111.59 14.77 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.469 ' HB2' ' HA ' ' A' ' 115' ' ' MET . 0.4 OUTLIER -107.04 -62.83 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.702 ' HB3' HD11 ' A' ' 36' ' ' LEU . 23.8 m -92.05 -52.12 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.1 t80 -37.58 -49.88 2.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.698 0.761 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 120' ' ' TYR . 63.8 Cg_exo -47.93 -65.47 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.64 2.227 . . . . 0.0 112.372 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' ARG . 60.9 mtm-85 -62.45 -51.94 65.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -37.9 -40.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.3 mt -70.51 -40.83 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 122' ' ' ARG . 10.3 mmt85 -58.34 -45.37 88.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 m -64.12 148.89 48.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 130' ' ' GLN . 75.6 m -60.0 -32.6 71.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.73 -38.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -76.01 -45.08 36.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 131' ' ' GLU . 48.3 mm-40 -60.5 -38.82 85.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 130' ' ' GLN . 14.5 mt-10 -35.69 -54.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.657 ' HB3' HG21 ' A' ' 12' ' ' VAL . 1.1 mm? -60.35 -51.21 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.454 ' O ' ' CD ' ' A' ' 9' ' ' GLN . 26.7 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.792 0.329 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -63.34 -43.87 96.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -59.15 -38.56 79.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.737 HG22 ' CH2' ' A' ' 15' ' ' TRP . 99.5 t -62.52 -55.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HB2' HD21 ' A' ' 133' ' ' LEU . 17.4 tptm -43.75 -44.42 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 6.4 mmm180 -47.04 -43.42 19.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.737 ' CH2' HG22 ' A' ' 12' ' ' VAL . 11.3 m0 -54.36 -29.57 48.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.86 25.56 2.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.457 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 14.3 m-85 -117.72 16.27 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 118.8 143.45 7.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 20' ' ' ASP . 7.3 ttp -37.84 -43.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' MET . 25.1 m-20 -33.85 -59.18 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' ALA . 75.3 mm-40 -63.02 -60.77 2.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -35.29 -39.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.467 HD13 ' CH2' ' A' ' 48' ' ' TRP . 12.2 mt -76.28 -47.47 23.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.4 mttm -38.39 -63.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.47 147.85 90.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.724 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.325 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.38 -37.97 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.51 -28.14 71.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -68.35 -48.4 64.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.9 pt-20 -71.97 -45.61 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 54.3 mm-40 -53.77 -58.96 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 9.5 t80 -55.23 -34.81 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' A' ' 36' ' ' LEU . 3.3 tp -63.3 -54.2 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LEU . 63.5 mttt -37.05 -56.4 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -52.44 -50.16 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 33' ' ' LEU . 52.5 mt -46.99 -58.13 4.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -42.23 -48.92 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -54.66 -44.01 72.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.56 13.56 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 52.35 39.2 26.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.8 m -112.22 -20.49 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -39.29 -44.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' HG22 ' A' ' 82' ' ' ILE . 8.8 pt-20 -39.15 -44.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -57.4 -56.17 25.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' TRP . 41.8 tp -60.65 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 45' ' ' LEU . 22.3 mtp85 -34.77 -49.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 30.1 t80 -63.25 -41.91 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' ' 45' ' ' LEU . 31.9 t90 -59.82 -56.15 25.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -58.78 -45.22 90.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.97 -42.41 17.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.455 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 92.9 t -66.1 -47.31 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.481 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 24.9 mm-40 -54.41 -49.51 69.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -71.72 -40.3 69.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -38.54 -43.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -60.93 -50.31 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -54.32 -39.42 67.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -52.16 145.9 17.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 160.31 50.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 tp -52.84 -30.26 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -67.05 -29.17 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -113.58 12.7 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -73.03 -58.54 2.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.72 -51.28 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 m -43.18 -36.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' VAL . 3.8 tpt180 -80.03 -47.44 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 62' ' ' VAL . 36.0 t -33.64 -64.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 5.8 pt20 -60.1 -47.93 83.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.431 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 54.9 mm-40 -46.36 -64.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.4 mt -46.22 -47.36 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.664 ' CH2' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -70.57 -22.63 62.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.772 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 25.3 mt-30 -84.28 -7.27 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 4.0 tp10 -108.75 -49.61 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' C ' ' H ' ' A' ' 75' ' ' ALA . 13.3 m-85 -98.09 -66.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.535 HD13 HG21 ' A' ' 92' ' ' THR . 30.8 mt -69.04 18.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.772 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.53 139.84 25.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 161.3 46.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.324 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.32 15.37 1.12 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -84.94 158.43 58.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.711 . . . . 0.0 111.08 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.4 Cg_endo -69.79 -47.74 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.252 . . . . 0.0 112.275 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -98.14 17.96 17.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.663 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -51.26 122.67 8.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.068 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.748 HD12 HD11 ' A' ' 111' ' ' ILE . 14.4 pt -108.13 179.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -126.28 136.65 53.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.5 mt -126.73 177.7 6.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -75.36 151.11 38.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.2 p -47.94 -36.85 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -72.71 -66.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -46.94 -53.62 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -52.93 -63.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -45.92 -52.98 10.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -56.18 -60.26 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.535 HG21 HD13 ' A' ' 74' ' ' LEU . 93.4 m -48.11 -63.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.664 HG23 ' CH2' ' A' ' 70' ' ' TRP . 24.2 m -34.7 -43.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -74.07 -43.97 55.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 92' ' ' THR . 2.5 m-20 -59.33 -40.31 85.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.568 HG21 ' CE3' ' A' ' 70' ' ' TRP . 84.8 t -39.76 -58.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -33.85 -37.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 96' ' ' VAL . 11.1 mt-10 -94.24 106.37 22.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.8 Cg_endo -69.72 114.38 3.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.97 -165.72 13.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -97.41 -50.0 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -88.22 17.78 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.8 m -53.22 -55.09 27.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -92.19 17.58 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -43.78 -43.62 6.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -65.56 -63.74 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.96 -46.6 16.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.481 ' NE2' ' HG2' ' A' ' 52' ' ' GLU . 50.4 tt0 -50.83 -41.33 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 17.6 tt0 -72.57 -47.21 49.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -48.12 -55.71 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.748 HD11 HD12 ' A' ' 82' ' ' ILE . 46.0 mm -59.15 -41.13 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 4.7 t80 -55.25 -54.82 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.467 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 21.9 mtmt -56.95 -16.27 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.594 HD12 ' OD1' ' A' ' 118' ' ' ASP . 0.9 OUTLIER -91.62 -72.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 32.8 mtm -45.02 -39.0 5.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -45.18 -47.63 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.506 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 3.0 m -117.61 16.83 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.594 ' OD1' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -104.89 -61.76 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.531 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 35.5 m -92.59 -54.08 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.532 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 3.1 t80 -34.07 -51.31 0.91 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.704 0.764 . . . . 0.0 110.952 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 65.1 Cg_exo -47.94 -56.54 3.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -52.23 -42.07 63.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -44.06 -41.52 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.515 HD11 ' CE1' ' A' ' 120' ' ' TYR . 4.7 mp -70.1 -36.23 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -68.27 -46.41 70.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 63.5 p -63.48 176.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 41.1 m -98.87 -32.31 11.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.82 -46.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.85 -46.87 80.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -59.62 -40.22 86.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -39.39 -55.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.598 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.5 mm? -53.74 -50.65 65.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 13' ' ' LYS . 10.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.728 0.299 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.57 -44.53 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.487 ' NE ' ' OD1' ' A' ' 25' ' ' ASP . 41.5 ttt180 -59.88 -41.02 90.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.632 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 74.6 t -56.2 -56.83 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 14' ' ' ARG . 23.3 tptm -40.34 -56.42 2.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' LYS . 3.3 mmt180 -35.26 -37.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.632 ' CZ3' HG22 ' A' ' 12' ' ' VAL . 10.8 m0 -65.76 -56.38 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -33.39 -43.97 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -44.55 -48.3 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.487 ' C ' ' CE2' ' A' ' 120' ' ' TYR . . . 172.09 164.5 27.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.569 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 22.1 ttp -47.93 -52.15 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 19' ' ' MET . 33.7 t0 -32.04 -59.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 16.1 mp0 -56.88 -62.09 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HB2' ' OH ' ' A' ' 120' ' ' TYR . . . -42.33 -51.47 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.598 HD13 ' CH2' ' A' ' 48' ' ' TRP . 87.3 mt -46.54 -55.91 6.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 6.3 mptp? -38.7 -53.2 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.487 ' OD1' ' NE ' ' A' ' 11' ' ' ARG . 18.6 t70 -80.25 142.21 54.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.637 0.732 . . . . 0.0 110.852 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.78 -46.83 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 98.4 t -62.81 -61.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -43.74 -28.59 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 18.0 mtm180 -68.49 -44.72 74.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 6.5 pt-20 -71.93 -38.07 69.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -56.43 -60.33 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CE1' HD21 ' A' ' 36' ' ' LEU . 7.3 t80 -53.1 -36.67 60.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.6 tp -62.62 -54.57 37.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 33.0 mttm -34.93 -59.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -48.8 -50.36 34.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 32' ' ' PHE . 44.3 mt -46.84 -58.69 3.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 42.6 mt-10 -35.73 -46.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.2 m -55.3 -53.49 55.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' CD ' ' HB2' ' A' ' 41' ' ' SER . 4.1 pt-20 -78.39 8.58 4.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 52.91 36.52 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.408 ' HB2' ' CD ' ' A' ' 39' ' ' GLU . 48.9 m -117.93 17.79 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.2 p -66.06 -33.34 75.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -42.15 -54.07 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -40.59 -59.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' TRP . 58.0 tp -68.56 -57.33 5.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LEU . 8.3 mtp180 -34.95 -42.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.534 ' CE1' ' CG2' ' A' ' 51' ' ' VAL . 2.6 t80 -70.84 -46.39 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.598 ' CH2' HD13 ' A' ' 23' ' ' LEU . 26.6 t90 -48.25 -61.15 2.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.6 -46.01 70.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.59 -43.16 46.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.534 ' CG2' ' CE1' ' A' ' 47' ' ' PHE . 72.8 t -65.98 -60.27 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' OE1' ' CZ3' ' A' ' 48' ' ' TRP . 6.6 mt-10 -36.5 -40.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 54' ' ' LEU . 40.5 m-20 -75.22 -41.24 58.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.48 HD13 HD12 ' A' ' 69' ' ' ILE . 68.9 tp -33.15 -65.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -47.96 62.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -51.49 -39.72 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -56.03 152.59 20.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.821 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.545 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.73 163.43 38.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.375 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.779 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -55.06 -30.87 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -70.81 -31.51 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -107.57 11.16 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -74.65 -58.83 1.65 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.79 -49.71 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 m -47.37 -37.1 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' VAL . 22.0 mmm-85 -80.34 -44.35 19.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 62' ' ' VAL . 11.9 t -33.32 -63.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 25.4 pt20 -58.79 -51.22 70.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 6.0 mm-40 -45.08 -65.77 0.49 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.48 HD12 HD13 ' A' ' 54' ' ' LEU . 31.1 mt -47.39 -43.97 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.698 ' CE3' HG21 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -70.79 -25.04 62.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.928 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 30.9 mt-30 -88.42 -2.83 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 17.4 tt0 -95.63 -47.66 6.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.61 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -118.02 -37.99 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.586 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 40.0 mt -82.88 18.04 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.928 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.58 149.08 43.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 111.085 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -52.35 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.367 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.05 39.73 3.11 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -109.7 154.45 42.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.609 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.5 m -87.33 18.02 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -44.89 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 73' ' ' PHE . 7.3 pt -84.96 -177.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -125.09 136.05 53.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.6 mt -126.1 171.26 10.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.86 144.47 43.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 76.9 p -45.27 -40.42 7.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -72.27 -60.87 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.7 m -50.26 -59.83 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -45.22 -50.04 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.31 -56.97 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -54.75 -58.85 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 96' ' ' VAL . 32.6 m -48.93 -59.48 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.418 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 33.8 m -36.89 -52.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -66.41 -54.84 19.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -44.57 -45.47 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.698 HG21 ' CE3' ' A' ' 70' ' ' TRP . 95.6 t -43.7 -46.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 96' ' ' VAL . 24.1 mmtm -34.5 -46.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.36 116.86 64.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.94 26.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.2 -159.11 9.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -106.28 -37.88 6.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -104.88 17.85 23.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.8 m -54.03 -47.7 71.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CE1' HG22 ' A' ' 96' ' ' VAL . 36.9 m-85 -97.1 17.84 16.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.32 -47.06 55.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.14 -59.9 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.34 -60.73 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.527 ' HA ' ' CE2' ' A' ' 47' ' ' PHE . 36.3 tt0 -43.87 -46.33 7.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' TYR . 33.6 tt0 -65.38 -53.8 38.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -39.18 -46.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.3 mm -63.97 -37.4 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.3 t80 -59.23 -56.26 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -58.93 -11.31 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.597 HD11 ' OD2' ' A' ' 118' ' ' ASP . 0.9 OUTLIER -93.09 -71.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.429 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 24.6 mtm -44.19 -39.42 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 117' ' ' SER . 5.0 ptmm? -44.71 -47.73 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.521 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.4 p -116.86 13.14 14.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.597 ' OD2' HD11 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -104.48 -64.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.519 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 38.7 m -94.19 -53.16 4.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.3 t80 -35.21 -50.86 1.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.713 0.768 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.519 ' HD2' ' C ' ' A' ' 119' ' ' SER . 63.9 Cg_exo -47.89 -54.16 5.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -56.05 -34.41 65.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.46 -49.09 68.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 124' ' ' ILE . 4.9 mp -61.72 -53.26 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -51.9 -46.38 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.6 p -60.02 153.71 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 128' ' ' ALA . 3.0 m -73.84 -41.85 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.82 -40.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -69.94 -54.71 12.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 131' ' ' GLU . 35.0 mm-40 -53.96 -46.06 71.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 9.2 mm-40 -35.88 -45.05 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 27.0 mt -66.54 -53.02 39.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -67.22 -41.81 85.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.33 -42.54 66.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.498 HG11 ' HB2' ' A' ' 132' ' ' LEU . 93.5 t -58.41 -59.28 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -43.65 -43.06 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -41.54 -38.18 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 9.1 m0 -67.93 -46.73 70.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -36.15 -43.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.491 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -48.47 -53.72 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.503 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 179.89 171.32 42.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 20' ' ' ASP . 7.0 ttp -54.91 -43.16 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 19' ' ' MET . 1.1 m-20 -31.98 -46.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 23' ' ' LEU . 71.9 mm-40 -78.01 -65.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -36.43 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.635 HD13 ' CH2' ' A' ' 48' ' ' TRP . 80.6 mt -79.03 -54.63 5.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -44.97 -34.64 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.42 146.26 31.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.577 0.703 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.84 -47.84 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.11 -28.98 51.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -67.74 -50.98 54.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.755 0.312 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.3 pt-20 -71.3 -47.46 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.5 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 91.2 mm-40 -51.67 -59.69 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 36' ' ' LEU . 15.9 t80 -52.72 -38.24 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -63.07 -55.89 21.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HE3' ' NE2' ' A' ' 31' ' ' GLN . 7.9 mtmp? -34.32 -55.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 123' ' ' PHE . 50.8 t80 -52.64 -50.46 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 32' ' ' PHE . 25.5 mt -44.11 -53.94 5.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' LEU . 49.7 mt-10 -36.49 -46.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 3.7 m -56.86 -52.25 65.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -83.41 14.79 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 52.17 42.49 30.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' SER . 26.9 t -114.11 -16.5 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.5 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 85.9 p -34.56 -40.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' ASN . 6.1 pt-20 -57.03 -54.81 42.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.444 ' O ' HG21 ' A' ' 111' ' ' ILE . 11.3 m-20 -36.99 -43.44 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' ARG . 14.2 tp -84.24 -55.97 3.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' LEU . 23.1 mtp180 -36.99 -42.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 13.9 t80 -66.2 -46.94 75.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.635 ' CH2' HD13 ' A' ' 23' ' ' LEU . 43.0 t90 -51.48 -62.2 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -48.9 -48.22 42.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.66 -56.67 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 81.1 t -54.4 -49.02 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE2' ' CH2' ' A' ' 48' ' ' TRP . 20.5 mt-10 -47.4 -45.79 25.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 63.0 m-20 -74.8 -40.25 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.628 HD13 ' CD1' ' A' ' 69' ' ' ILE . 62.9 tp -32.73 -66.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 5.7 ptpt -50.61 -42.21 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 45.8 mmtt -57.87 -40.79 81.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 57' ' ' ARG . 4.6 mmp_? -53.18 154.61 5.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 157.76 59.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.503 HG23 ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -48.38 -45.53 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.503 ' N ' HG23 ' A' ' 59' ' ' ILE . 4.7 ptpt -59.06 -28.47 66.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -108.15 16.74 23.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.621 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -79.27 -60.13 0.56 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 0.0 111.177 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.498 ' N ' HG12 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.78 -51.63 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.0 m -43.89 -37.99 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 11.6 tpp180 -79.12 -43.94 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 62' ' ' VAL . 25.8 t -33.86 -66.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 8.2 pt20 -59.45 -48.3 82.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 47.0 mm-40 -46.66 -63.3 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.628 ' CD1' HD13 ' A' ' 54' ' ' LEU . 21.3 mt -49.07 -40.73 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.624 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -74.66 -17.47 60.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.985 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 24.6 mt-30 -93.06 -3.37 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 2.7 tp10 -99.27 -45.98 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -118.0 -37.98 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' A' ' 70' ' ' TRP . 16.7 mt -85.33 17.97 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.985 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -113.12 150.58 43.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.563 0.697 . . . . 0.0 111.118 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -53.58 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.27 46.53 2.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -115.34 155.24 47.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.54 0.686 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.1 Cg_endo -69.75 -53.02 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.512 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 12.9 m -84.52 18.03 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -47.13 109.78 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.45 HG23 ' HB3' ' A' ' 73' ' ' PHE . 6.6 pt -95.33 -177.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -130.1 126.72 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.473 HD23 HD11 ' A' ' 111' ' ' ILE . 46.9 mt -115.77 162.91 16.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -53.48 158.18 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -53.06 -55.67 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -69.24 -43.56 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.478 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 67.1 m -51.6 -53.36 39.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -57.51 -49.92 74.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -53.13 -44.54 67.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -66.2 -48.44 70.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 96' ' ' VAL . 35.3 m -58.46 -56.74 18.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.7 m -45.65 -44.3 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -69.16 -45.16 70.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -58.77 -45.42 89.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.657 HG22 ' CE1' ' A' ' 104' ' ' PHE . 91.9 t -42.76 -44.03 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' VAL . 27.9 mmtp -35.16 -46.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.02 116.23 63.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.614 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.7 Cg_endo -69.75 132.89 24.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.09 -155.86 7.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.438 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 43.3 mtt180 -109.83 -38.0 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -105.2 17.86 23.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.0 m -56.07 -50.79 70.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.657 ' CE1' HG22 ' A' ' 96' ' ' VAL . 76.6 m-85 -90.26 17.91 6.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -54.1 -44.87 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.21 -60.38 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.1 -52.13 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.58 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 11.3 tt0 -48.2 -40.18 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -67.58 -48.11 67.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -52.41 -64.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.473 HD11 HD23 ' A' ' 84' ' ' LEU . 48.5 mm -52.35 -38.39 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.444 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 68.2 t80 -56.37 -62.62 1.6 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 37.6 mtmt -54.85 -26.1 33.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.488 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 0.5 OUTLIER -69.37 -70.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 116' ' ' LYS . 59.2 mtm -40.82 -37.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 115' ' ' MET . 18.4 mtpp -34.09 -70.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.441 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 3.5 m -107.48 18.03 22.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.488 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -97.92 -68.89 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.536 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -94.32 -51.91 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.503 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 0.9 OUTLIER -32.9 -51.42 0.64 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.914 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.536 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.7 Cg_exo -47.91 -59.3 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 123' ' ' PHE . 35.6 mtt180 -58.27 -51.94 67.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.451 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 16.1 t80 -36.97 -49.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.0 mt -64.92 -47.75 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -46.01 -51.02 14.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.3 t -60.05 140.51 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' ALA . 57.8 m -57.93 -36.05 71.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.79 -40.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -73.15 -52.15 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 131' ' ' GLU . 45.0 mm-40 -53.99 -42.66 69.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.1 mt-10 -35.86 -55.03 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.498 ' HB2' HG11 ' A' ' 12' ' ' VAL . 13.2 mt -55.95 -55.28 34.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.697 0.284 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.1 -47.76 84.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -59.18 -40.26 85.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.543 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 55.9 t -54.98 -60.22 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' HD21 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -42.57 -45.03 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 44.8 mtt180 -52.68 -50.11 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.543 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 14.2 m0 -45.6 -28.37 0.95 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.68 29.32 2.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 22.5 m-85 -117.86 -33.22 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 158.65 146.74 4.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.476 ' HG2' HD11 ' A' ' 23' ' ' LEU . 24.6 ttp -33.75 -47.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' MET . 11.4 t0 -32.34 -54.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 23' ' ' LEU . 73.8 mm-40 -68.8 -62.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -34.22 -32.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.613 HD13 ' CH2' ' A' ' 48' ' ' TRP . 27.6 mt -79.07 -55.27 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 20.0 pttt -45.55 -33.52 2.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 74.8 m-20 -89.44 142.64 29.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.575 0.703 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -51.35 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 31' ' ' GLN . 72.1 t -65.7 -48.97 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.7 -29.84 26.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -66.22 -49.69 66.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.3 pt-20 -72.78 -44.67 61.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HG2' HG12 ' A' ' 27' ' ' VAL . 71.2 mm-40 -54.62 -57.78 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 20.9 t80 -54.14 -38.28 65.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 tp -63.91 -53.68 46.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' LEU . 34.6 mttm -36.35 -45.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -61.36 -45.44 94.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 9.9 mp -53.19 -56.33 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -38.23 -39.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -63.77 -49.02 74.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -84.1 12.59 6.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 53.59 44.47 29.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' SER . 3.7 m -114.33 -17.31 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.486 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 86.1 p -35.11 -49.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' HG3' HG22 ' A' ' 82' ' ' ILE . 5.3 pt-20 -38.81 -47.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -50.71 -55.68 15.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' TRP . 26.3 tp -67.51 -57.38 6.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -37.43 -42.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.519 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 21.1 t80 -69.67 -43.23 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.613 ' CH2' HD13 ' A' ' 23' ' ' LEU . 25.4 t90 -53.37 -59.1 5.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.6 mt -54.52 -47.67 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.8 -46.03 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 59.1 t -62.61 -51.58 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -43.31 -47.94 6.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' LEU . 25.5 t0 -75.55 -43.92 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 69' ' ' ILE . 47.9 tp -34.84 -64.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 12.5 ptpt -53.65 -44.01 69.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -56.46 -39.29 72.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -52.31 144.43 22.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.543 0.687 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.72 168.44 21.51 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.1 tp -54.08 -31.41 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -68.49 -31.24 70.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -116.3 13.56 15.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -75.35 -58.79 1.41 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.613 0.72 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.8 -51.3 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 m -46.63 -36.56 7.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.1 tpt180 -78.4 -45.04 23.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 62' ' ' VAL . 39.2 t -36.0 -65.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -59.49 -47.72 84.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -45.64 -61.08 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.5 HD12 HD13 ' A' ' 54' ' ' LEU . 31.4 mt -51.19 -44.01 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -71.6 -15.96 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.899 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 28.6 mt-30 -94.41 -2.17 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.488 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 2.9 tp10 -104.43 -44.52 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.519 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 2.4 m-85 -113.91 -47.24 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 28.6 mt -79.44 18.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -119.55 140.09 28.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.094 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.27 47.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.71 -19.34 5.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.642 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -52.08 161.89 0.91 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.712 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.642 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.6 Cg_endo -69.74 -49.5 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 82' ' ' ILE . 49.5 m -97.7 18.04 16.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -45.95 105.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 80' ' ' SER . 7.1 pt -91.98 -178.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -130.03 125.4 35.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.4 mt -110.39 162.02 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' SER . 8.8 t0 -60.66 136.39 58.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' ASP . 5.1 t -34.75 -37.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.8 tppp? -76.17 -63.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -45.1 -43.32 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -59.45 -54.91 41.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -54.43 -47.41 72.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 13.8 tmtt? -60.16 -44.76 94.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 96' ' ' VAL . 90.2 m -65.62 -61.51 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.5 m -42.82 -42.16 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -69.98 -44.68 68.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.552 ' HB3' HG23 ' A' ' 103' ' ' THR . 1.0 OUTLIER -60.24 -46.82 88.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 92' ' ' THR . 96.4 t -37.69 -41.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' VAL . 31.7 mmtp -34.89 -43.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -109.64 115.02 56.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 127.96 15.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -147.88 -147.86 4.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 48.7 mtt180 -115.93 -36.56 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -110.09 18.02 20.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.552 HG23 ' HB3' ' A' ' 95' ' ' ASN . 89.2 m -53.62 -44.35 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -94.42 17.04 13.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 22.3 pt-20 -46.56 -47.75 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 105' ' ' GLU . 1.1 m-20 -60.65 -66.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.11 -47.86 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -55.7 -39.55 71.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 9.2 tt0 -71.42 -41.71 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.428 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 44.7 t60 -54.52 -54.05 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.42 HG22 ' CE ' ' A' ' 115' ' ' MET . 36.9 mm -61.09 -37.69 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 5.4 t80 -57.12 -55.95 28.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.428 ' CE ' ' HA ' ' A' ' 110' ' ' HIS . 23.4 mtmt -56.1 -15.17 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.641 HD11 ' OD1' ' A' ' 118' ' ' ASP . 2.6 tp -92.91 -70.79 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.42 ' CE ' HG22 ' A' ' 111' ' ' ILE . 39.4 mtm -42.51 -36.62 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.547 ' HG3' ' N ' ' A' ' 117' ' ' SER . 8.0 ptmm? -51.89 -48.91 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.547 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.0 OUTLIER -117.87 15.98 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.641 ' OD1' HD11 ' A' ' 114' ' ' LEU . 16.1 t70 -102.05 -62.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.586 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.1 t -95.17 -52.53 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.533 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -35.0 -49.22 1.08 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.751 . . . . 0.0 110.909 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.7 Cg_exo -48.02 -62.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.712 2.274 . . . . 0.0 112.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -57.52 -48.57 78.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -40.84 -43.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.31 -41.52 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -56.68 -46.92 80.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -65.43 152.59 43.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 130' ' ' GLN . 4.8 m -72.87 -32.18 65.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.27 -38.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.76 -45.65 42.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' SER . 48.5 mm-40 -59.91 -39.95 87.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.2 mm-40 -37.65 -60.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.665 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.2 mm? -47.35 -62.04 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 13' ' ' LYS . 12.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.718 0.294 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -61.06 -45.56 94.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -55.16 -46.58 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 15' ' ' TRP . 71.7 t -50.45 -57.83 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -43.98 -42.13 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -48.37 -36.28 14.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -76.07 17.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 14' ' ' ARG . . . -96.2 23.01 36.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' CD ' ' A' ' 21' ' ' GLU . 31.3 m-85 -135.97 102.01 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.567 ' O ' ' CE1' ' A' ' 120' ' ' TYR . . . 59.22 -146.23 43.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.537 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 20.4 ttp -115.33 -35.02 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -33.47 -70.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.497 ' CD ' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.64 -32.13 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 19' ' ' MET . . . -66.43 -35.19 79.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD13 ' CH2' ' A' ' 48' ' ' TRP . 4.4 mt -81.38 -39.95 24.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -41.44 -65.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -76.1 150.1 82.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -51.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 87.4 t -53.17 -46.88 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.62 -31.38 74.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 33.8 mtm180 -67.19 -48.79 66.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.5 pt-20 -71.67 -44.21 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 11.6 mm100 -53.94 -59.74 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.642 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 16.9 t80 -53.59 -36.78 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -62.01 -57.14 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . 31.3 mttm -34.94 -53.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -56.46 -54.46 45.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 84.6 mt -39.88 -50.97 2.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -45.01 -40.89 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -60.78 -48.9 79.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.58 16.29 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 52.03 37.85 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 t -117.94 17.79 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.5 p -62.31 -37.52 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.6 -47.68 84.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.473 ' O ' HG21 ' A' ' 111' ' ' ILE . 13.6 m-20 -42.08 -52.56 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' ARG . 40.9 tp -78.47 -53.2 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' LEU . 24.8 mtp180 -35.6 -49.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.526 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 10.9 t80 -65.14 -47.62 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.528 ' CH2' HD13 ' A' ' 23' ' ' LEU . 64.8 t90 -50.46 -51.62 45.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.82 -44.85 96.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.49 -52.72 7.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.89 -47.19 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 55' ' ' LYS . 35.4 mt-10 -51.69 -55.4 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD1' ' HG2' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -56.7 -43.14 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 31.8 tp -39.41 -53.29 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.519 ' CG ' ' HB3' ' A' ' 101' ' ' ARG . 23.6 mtmt -55.31 -47.32 75.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -62.12 -38.95 90.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 16.5 mmt180 -52.16 142.06 28.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.551 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.72 161.97 43.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.9 tp -52.24 -33.46 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -68.18 -32.39 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -110.15 11.37 23.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.0 t -72.69 -58.26 2.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.624 0.726 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.78 -50.85 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.339 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.1 m -42.91 -38.83 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.3 tpt180 -76.05 -43.34 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 62' ' ' VAL . 42.2 t -37.71 -66.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.409 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 8.4 pt20 -55.65 -46.88 77.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.9 mm-40 -49.41 -61.81 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.9 mt -45.55 -45.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.669 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -74.16 -24.92 59.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.756 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 23.9 mt-30 -82.8 -6.57 59.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -111.14 -48.5 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 34.4 m-85 -98.01 -65.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.956 HD13 HG21 ' A' ' 92' ' ' THR . 33.6 mt -70.86 18.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.756 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -112.79 140.68 24.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.62 56.34 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.68 17.05 2.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -83.32 159.14 62.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.581 0.705 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.529 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.71 -49.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.423 ' OG ' ' CE1' ' A' ' 73' ' ' PHE . 52.8 p -100.52 18.92 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.888 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -51.98 134.6 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.9 pt -112.76 -179.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.43 125.73 39.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.5 mt -118.64 177.63 4.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.64 176.24 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.5 m -69.17 -49.75 53.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 88' ' ' SER . 20.7 pttp -67.72 -44.15 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 26.5 m -61.15 -61.86 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -48.16 -58.21 4.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -48.54 -56.01 9.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -47.22 -48.33 24.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.956 HG21 HD13 ' A' ' 74' ' ' LEU . 90.4 m -56.25 -65.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' THR . 18.7 m -37.46 -45.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 2.9 t-80 -68.56 -44.28 74.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -59.31 -45.51 91.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.8 t -39.87 -38.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 94' ' ' HIS . 15.5 mmtm -36.54 -44.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -108.68 115.14 58.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.697 0.761 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.96 31.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 2.282 . . . . 0.0 112.299 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.51 -148.09 5.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.519 ' HB3' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -117.83 -36.87 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.6 16.92 21.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.4 m -55.23 -49.75 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.544 ' CE1' HD12 ' A' ' 74' ' ' LEU . 63.3 m-85 -90.34 16.98 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -52.4 41.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -53.09 -65.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.09 -42.62 39.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -51.47 -39.08 56.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.488 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 17.7 tt0 -68.74 -54.61 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -43.45 -56.65 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.473 HG21 ' O ' ' A' ' 44' ' ' ASN . 46.6 mm -56.35 -44.3 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 4.1 t80 -55.9 -55.75 28.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.488 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 7.1 mtmp? -58.21 -11.52 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.634 HD12 ' OD1' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -96.19 -68.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.449 ' CE ' HG22 ' A' ' 111' ' ' ILE . 31.2 mtm -48.79 -29.36 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.529 ' HG3' ' N ' ' A' ' 117' ' ' SER . 10.3 ptmm? -54.85 -46.28 74.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.529 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 7.5 t -115.83 16.58 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.634 ' OD1' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -103.73 -61.77 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.533 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 49.9 m -97.26 -54.94 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.613 ' CE1' HD11 ' A' ' 124' ' ' ILE . 4.7 t80 -33.35 -51.27 0.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.692 0.758 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 64.6 Cg_exo -47.95 -62.91 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.623 2.216 . . . . 0.0 112.376 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 125' ' ' ARG . 31.2 mtt85 -56.67 -51.91 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 122' ' ' ARG . 28.7 t80 -35.38 -39.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 120' ' ' TYR . 59.7 mt -74.44 -41.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 122' ' ' ARG . 14.0 mmt180 -61.37 -46.27 90.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.7 m -58.34 175.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 130' ' ' GLN . 37.9 m -91.68 -35.21 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.66 -34.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HD2' ' CE2' ' A' ' 123' ' ' PHE . 7.8 t80 -85.41 -42.41 14.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 133' ' ' LEU . 55.5 mm-40 -62.32 -52.49 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 16.9 pt-20 -37.56 -39.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.503 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 46.7 mt -64.57 -46.33 83.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 130' ' ' GLN . 16.3 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -65.94 -50.67 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -53.8 -51.12 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' HG ' ' A' ' 133' ' ' LEU . 83.3 t -40.73 -55.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -47.11 -39.17 12.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -50.53 -32.38 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 2.7 m0 -76.04 10.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.36 3.94 54.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -125.38 102.55 7.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.53 ' O ' ' CZ ' ' A' ' 120' ' ' TYR . . . 56.94 164.48 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.551 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 41.0 ttp -75.49 -43.62 48.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.569 ' HA ' HD12 ' A' ' 23' ' ' LEU . 10.4 t70 -32.92 -43.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.47 -60.16 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.25 -46.52 17.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 20' ' ' ASP . 14.1 mt -56.98 -49.97 74.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -43.17 -59.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.17 145.75 88.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.258 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.422 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 88.9 t -63.04 -46.41 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.3 -26.9 45.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -69.23 -48.24 62.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 5.9 pt-20 -71.1 -43.49 67.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.428 ' OE1' HD21 ' A' ' 132' ' ' LEU . 34.1 mm-40 -52.47 -59.0 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.563 ' O ' HD13 ' A' ' 36' ' ' LEU . 44.1 t80 -54.19 -34.86 61.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.1 tp -66.05 -54.37 26.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' LEU . 29.7 mttm -35.02 -56.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -56.79 -53.57 56.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 32' ' ' PHE . 5.9 mp -40.76 -50.9 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -47.14 -38.59 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 m -68.52 -50.57 51.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -80.54 15.48 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 52.01 42.3 30.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.8 t -112.93 -12.43 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.475 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 41.4 p -40.74 -37.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.49 -40.8 92.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' SER . 7.9 m-20 -54.23 -55.92 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' ARG . 31.6 tp -71.57 -55.3 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' LEU . 24.1 mtp180 -37.46 -44.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.47 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 7.2 t80 -65.65 -47.08 76.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.545 ' CH2' HD13 ' A' ' 23' ' ' LEU . 25.9 t90 -52.72 -60.2 3.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.2 mt -53.03 -52.26 59.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.94 -42.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.1 -53.17 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -50.06 -52.01 37.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.9 t70 -64.06 -47.91 78.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 65' ' ' ARG . 33.1 tp -37.59 -52.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -52.01 -52.68 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -46.31 -43.75 16.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -52.39 145.29 20.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 164.81 33.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.297 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.415 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 7.2 tp -50.4 -38.59 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -60.51 -28.59 68.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -112.71 15.12 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.677 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -75.67 -58.9 1.3 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.77 -51.02 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.0 m -43.48 -39.23 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.533 ' HB3' HD13 ' A' ' 54' ' ' LEU . 28.6 mmm-85 -80.42 -45.15 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 62' ' ' VAL . 17.9 t -33.8 -64.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.0 pt20 -59.94 -51.1 71.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.1 mm-40 -44.9 -64.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.6 mt -50.56 -42.01 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.609 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.23 -19.49 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.933 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 30.4 mt-30 -92.4 -2.22 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.582 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 2.4 tp10 -97.89 -46.07 6.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 80' ' ' SER . 0.3 OUTLIER -117.93 -38.99 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 44.4 mt -83.42 18.03 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.933 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -117.07 149.22 43.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.71 . . . . 0.0 111.093 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.404 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.47 43.6 3.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.525 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -113.81 154.03 45.92 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.586 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 55.4 m -87.21 18.02 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 73' ' ' PHE . . . -45.2 108.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 73' ' ' PHE . 12.0 pt -91.89 -177.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -129.71 131.59 46.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.2 mt -123.21 171.33 9.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' SER . 27.9 t70 -78.38 141.39 38.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' ASP . 74.1 m -38.07 -43.61 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -63.08 -59.68 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 t -55.37 -58.79 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -46.7 -48.66 20.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.21 -63.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -48.94 -48.1 43.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.3 m -58.41 -65.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.3 m -38.18 -46.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -66.34 -43.96 84.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -60.49 -45.28 94.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.584 HG21 ' CE3' ' A' ' 70' ' ' TRP . 98.8 t -38.87 -42.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -37.95 -43.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.93 115.97 61.56 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.67 0.748 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.44 4.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.27 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.92 -166.12 10.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -97.61 -46.53 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -95.53 17.98 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.6 m -56.97 -44.32 82.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' A' ' 74' ' ' LEU . 77.8 m-85 -95.45 17.51 14.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.7 -58.86 5.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.24 -65.13 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.22 -51.98 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 65.9 tt0 -45.33 -38.49 5.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 22.1 tt0 -71.26 -44.01 66.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -54.16 -51.86 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.17 -41.91 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.2 t80 -56.07 -55.05 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.2 mtmp? -58.43 -12.47 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -94.46 -64.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.421 ' HE2' ' HB2' ' A' ' 115' ' ' MET . 33.9 mtm -49.21 -33.93 13.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.536 ' HG3' ' N ' ' A' ' 117' ' ' SER . 8.7 ptmm? -52.55 -49.88 64.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.536 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 26.1 t -117.51 14.91 14.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 114' ' ' LEU . 18.7 t70 -102.48 -59.93 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.552 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 41.2 m -96.75 -52.66 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.831 ' O ' HD12 ' A' ' 124' ' ' ILE . 1.7 t80 -34.53 -50.44 1.0 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.642 0.734 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.552 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.0 Cg_exo -47.94 -56.68 2.89 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -55.95 -45.04 78.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -42.87 -42.23 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.1 mp -70.27 -37.28 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -59.08 -57.28 13.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 t -61.1 172.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' GLN . 57.9 m -91.23 -31.21 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.88 -38.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -77.64 -41.85 36.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 127' ' ' SER . 34.4 mm-40 -63.69 -34.58 78.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 130' ' ' GLN . 4.1 mm-40 -35.66 -65.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.794 ' H ' HD22 ' A' ' 132' ' ' LEU . 0.6 OUTLIER -49.64 -49.79 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.484 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 4.9 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.24 -38.68 75.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -64.48 -41.43 96.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.778 HG21 ' HB3' ' A' ' 132' ' ' LEU . 97.2 t -58.92 -46.68 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -44.47 -45.14 9.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -48.57 -36.79 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.676 ' CE3' HG13 ' A' ' 12' ' ' VAL . 5.1 m0 -68.57 -26.51 65.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.23 26.81 2.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -117.98 -32.86 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 168.23 147.0 5.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.571 ' O ' ' N ' ' A' ' 22' ' ' ALA . 8.9 ptm -36.24 -58.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' MET . 26.8 t0 -32.18 -49.29 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -60.57 -42.39 96.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -70.44 -44.16 68.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.595 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 15.3 mt -53.9 -53.78 47.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -59.94 -32.74 71.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 4.1 t70 -86.89 137.81 33.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -51.17 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.757 2.304 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.6 t -63.59 -37.47 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.73 -33.41 80.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -65.8 -48.54 71.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 6.2 pt-20 -72.6 -46.05 56.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 87.7 mm-40 -55.26 -55.9 26.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.535 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 43.0 t80 -56.31 -28.65 59.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -72.19 -48.11 45.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -38.98 -60.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 126' ' ' SER . 18.9 t80 -54.7 -47.34 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.487 ' HB3' ' CA ' ' A' ' 42' ' ' SER . 0.6 OUTLIER -50.61 -58.15 6.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -44.63 -42.46 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 m -62.55 -50.37 71.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.42 11.75 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 52.72 40.12 29.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' SER . 96.6 p -111.58 -24.6 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.487 ' CA ' ' HB3' ' A' ' 36' ' ' LEU . 17.5 t -35.87 -45.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 42' ' ' SER . 22.0 mt-10 -33.65 -52.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.73 -55.97 21.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.27 -61.54 2.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -40.13 -47.21 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -60.55 -45.08 95.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.595 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 9.5 t90 -56.32 -58.16 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.6 mt -55.77 -42.78 75.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.9 -47.7 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.074 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.75 -47.32 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' OE2' ' NE2' ' A' ' 108' ' ' GLN . 0.1 OUTLIER -50.12 -48.82 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.1 m-20 -66.47 -44.93 81.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 58.2 tp -35.45 -53.93 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -52.98 -48.02 67.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -55.93 -42.93 76.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -52.96 140.92 40.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.43 53.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.855 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -48.09 -34.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -62.82 -32.48 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.79 14.29 18.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.526 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.73 -58.64 2.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.676 0.75 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.73 -51.57 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.9 m -43.19 -38.53 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.9 tpt180 -74.97 -45.57 41.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.469 HG21 ' HA ' ' A' ' 99' ' ' PRO . 46.1 t -33.86 -66.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -55.52 -45.82 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 71' ' ' GLN . 5.6 mm-40 -53.24 -62.05 1.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 54' ' ' LEU . 36.7 mt -47.54 -37.18 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.599 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -83.18 -16.35 46.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.956 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 8.9 mm-40 -92.31 -5.07 52.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.582 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.0 tp10 -95.6 -47.58 6.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.679 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -118.0 -38.36 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.599 HD12 ' HB2' ' A' ' 70' ' ' TRP . 17.8 mt -83.37 17.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.956 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.83 151.03 45.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 111.123 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -54.64 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.44 52.06 2.73 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -122.08 154.63 61.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.573 0.701 . . . . 0.0 111.057 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.57 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.628 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 1.6 m -86.81 18.0 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.59 110.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.679 HG23 ' HB3' ' A' ' 73' ' ' PHE . 8.6 pt -95.58 -177.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -131.32 127.81 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.508 HD21 HD11 ' A' ' 111' ' ' ILE . 24.6 mt -123.09 162.48 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.42 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 7.1 t0 -62.71 137.59 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -40.49 -37.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -69.72 -58.52 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 p -53.14 -59.5 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -45.41 -62.57 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -42.46 -52.53 4.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -58.44 -57.11 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 93' ' ' THR . 78.7 m -51.63 -61.72 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 92' ' ' THR . 22.2 m -34.68 -49.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -64.82 -48.94 72.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.499 ' ND2' ' OD2' ' A' ' 106' ' ' ASP . 89.9 m-20 -54.85 -44.59 74.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 98' ' ' GLU . 96.5 t -40.63 -56.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 96' ' ' VAL . 6.8 mptt -33.53 -36.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 96' ' ' VAL . 9.2 mt-10 -95.52 104.59 16.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.74 116.12 4.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.03 -150.03 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -113.44 -38.0 4.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -104.44 16.59 25.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.4 m -56.39 -41.52 76.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.455 ' HE1' HD12 ' A' ' 74' ' ' LEU . 91.4 m-85 -86.3 -9.5 56.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PHE . 29.3 tt0 -33.48 -42.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.499 ' OD2' ' ND2' ' A' ' 95' ' ' ASN . 2.5 m-20 -64.84 -61.53 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.22 47.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.551 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 35.8 tt0 -43.33 -38.47 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -67.46 -53.96 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 7.0 t60 -44.32 -49.37 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.508 HD11 HD21 ' A' ' 84' ' ' LEU . 45.9 mm -66.51 -43.93 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -51.49 -65.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.509 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 39.1 mtmt -45.79 -34.42 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' A' ' 118' ' ' ASP . 2.3 tp -69.94 -69.29 0.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 116' ' ' LYS . 72.0 mtm -41.53 -39.86 1.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.509 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 26.9 mtpt -35.72 -68.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.483 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 4.4 t -114.53 17.87 17.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.545 ' CG ' HD11 ' A' ' 114' ' ' LEU . 33.5 t70 -98.87 -65.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.599 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.4 p -90.01 -52.37 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.615 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 25.9 t80 -33.15 -49.69 0.65 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.698 0.761 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 65.9 Cg_exo -47.97 -59.37 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 49.3 mtt-85 -48.19 -50.96 27.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 44.1 t80 -37.54 -57.78 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.573 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 55.5 mt -56.29 -59.87 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.07 -42.37 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.465 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 5.5 t -66.29 147.24 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.5 t -68.03 -35.39 78.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -37.52 -41.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -68.75 -53.86 19.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 131' ' ' GLU . 31.3 mm-40 -53.93 -37.78 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 130' ' ' GLN . 6.4 mm-40 -35.17 -61.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.778 ' HB3' HG21 ' A' ' 12' ' ' VAL . 1.7 mm? -52.49 -61.54 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.897 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.713 0.292 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -60.45 -50.14 74.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 8.6 mpt_? -58.36 -48.25 81.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.674 HG11 ' HB2' ' A' ' 132' ' ' LEU . 57.5 t -50.36 -53.2 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -57.13 -48.45 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.2 mmt-85 -43.63 -46.28 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.53 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 2.0 m0 -57.1 -50.61 72.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.8 -24.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' TRP . 56.0 m-85 -76.9 13.91 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' TRP . . . 122.08 170.09 13.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.547 ' HG2' HD21 ' A' ' 23' ' ' LEU . 16.9 ttp -68.74 -42.32 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 19' ' ' MET . 5.6 m-20 -32.71 -45.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 63.5 mm-40 -69.56 -43.6 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -64.86 -31.91 73.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.922 HD13 ' CH2' ' A' ' 48' ' ' TRP . 45.4 mt -71.89 -55.98 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.1 ptmm? -54.33 -33.94 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -92.33 142.02 25.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.31 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.721 2.28 . . . . 0.0 112.339 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.09 -44.77 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.83 -28.72 68.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' CZ ' ' CD2' ' A' ' 49' ' ' LEU . 20.8 mtt180 -69.8 -49.85 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.308 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.3 pt-20 -70.36 -44.1 68.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 61.8 mm-40 -52.81 -61.35 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.601 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 14.5 t80 -54.39 -36.55 64.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.6 tp -63.25 -53.11 58.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' LEU . 67.2 mttt -35.99 -53.92 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 33.6 t80 -56.6 -45.15 81.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.601 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 42.1 mt -48.33 -57.33 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -42.19 -38.98 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -61.87 -50.04 73.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.613 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 4.8 pt-20 -85.76 12.08 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.613 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 51.21 40.94 27.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.446 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 22.9 m -117.96 16.16 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 m -68.39 -38.35 81.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' CA ' ' OE1' ' A' ' 43' ' ' GLU . 1.5 mm-40 -41.83 -49.16 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -47.51 -56.38 7.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 48' ' ' TRP . 25.1 tp -67.26 -54.45 20.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' LEU . 3.1 mmp_? -36.14 -51.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 7.1 t80 -61.75 -42.24 98.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.922 ' CH2' HD13 ' A' ' 23' ' ' LEU . 24.2 t90 -56.29 -61.85 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.41 ' CD2' ' CZ ' ' A' ' 29' ' ' ARG . 74.0 mt -51.12 -46.65 61.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.29 -55.98 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.88 -54.13 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -40.01 -44.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' LEU . 4.4 t70 -73.12 -41.79 63.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASP . 50.5 tp -37.35 -46.59 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -49.58 77.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -57.86 -39.36 77.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -51.97 151.92 6.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.474 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.83 163.4 38.48 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.025 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.99 -27.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -72.94 -30.76 64.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -105.66 9.81 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.524 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -74.78 -58.64 1.63 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.73 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.404 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -47.45 -34.86 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.8 mmm180 -78.97 -43.53 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.537 HG21 ' HA ' ' A' ' 99' ' ' PRO . 25.3 t -32.85 -64.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.6 pt20 -60.17 -47.73 84.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 23.3 mm-40 -45.97 -59.04 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.3 mt -51.5 -41.57 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.69 -17.96 61.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.94 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 36.1 mt-30 -94.54 -0.62 54.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.561 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 15.1 tt0 -101.39 -44.94 5.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.8 OUTLIER -117.6 -38.81 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.575 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 57.1 mt -85.0 17.99 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.94 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -119.82 142.71 33.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.052 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 137.73 36.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.67 -16.28 15.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -52.09 159.82 1.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.552 0.692 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.6 Cg_endo -69.77 -44.7 1.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.238 . . . . 0.0 112.304 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.603 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 11.9 m -101.18 18.08 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -45.79 103.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 80' ' ' SER . 8.1 pt -91.37 -177.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -126.39 139.92 52.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 69.9 mt -128.64 177.67 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' SER . 43.8 t0 -84.6 131.53 34.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' ASP . 25.2 m -36.4 -36.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -70.28 -64.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 m -54.36 -53.88 48.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -48.45 -51.74 25.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -48.37 -57.56 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -52.12 -49.06 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' THR . 25.5 m -56.95 -60.67 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' THR . 11.1 m -36.07 -55.28 0.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -65.31 -46.05 81.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -52.31 -44.05 64.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' LYS . 90.4 t -46.86 -42.04 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' VAL . 15.8 mmtp -35.18 -47.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -100.94 114.5 65.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.537 ' HA ' HG21 ' A' ' 66' ' ' VAL . 54.4 Cg_endo -69.71 118.65 5.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 0.0 112.375 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.48 -148.18 5.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -116.45 -37.12 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -109.9 18.04 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.2 m -51.72 -41.26 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -91.65 17.91 8.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -47.07 -50.52 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.28 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.42 ' NE2' ' CD1' ' A' ' 48' ' ' TRP . 8.4 tp60 -37.75 -43.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 112' ' ' TYR . 25.1 tt0 -68.27 -60.7 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 109' ' ' GLU . 43.5 t60 -36.51 -54.23 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.695 HG22 ' CE ' ' A' ' 115' ' ' MET . 48.7 mm -55.79 -42.72 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 7.1 t80 -55.53 -56.82 15.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.482 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -55.12 -14.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.639 HD11 ' OD2' ' A' ' 118' ' ' ASP . 2.3 tp -93.58 -70.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.695 ' CE ' HG22 ' A' ' 111' ' ' ILE . 51.3 mtm -44.31 -35.28 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.534 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.5 ptmt -51.2 -49.2 61.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.534 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.6 t -116.88 17.94 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.639 ' OD2' HD11 ' A' ' 114' ' ' LEU . 50.8 t0 -98.0 -67.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.572 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -95.66 -49.81 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.824 ' O ' HD12 ' A' ' 124' ' ' ILE . 1.4 t80 -34.64 -49.92 1.02 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.572 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.9 Cg_exo -47.95 -54.63 4.94 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.264 . . . . 0.0 112.3 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -59.89 -38.74 83.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -48.65 -44.75 37.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.824 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.3 mp -65.6 -53.36 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.22 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.9 t -63.03 148.86 46.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' ALA . 3.1 m -67.81 -37.82 82.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.09 -40.27 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.3 -59.54 2.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 131' ' ' GLU . 35.7 mm-40 -49.12 -44.14 42.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 130' ' ' GLN . 7.3 mt-10 -36.25 -43.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.674 ' HB2' HG11 ' A' ' 12' ' ' VAL . 12.7 mt -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 130' ' ' GLN . 22.7 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.771 0.32 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -68.88 -40.33 79.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -42.64 86.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.549 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 90.7 t -59.54 -58.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -46.11 -46.12 16.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -42.26 -41.53 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 6.9 m0 -62.81 -41.35 99.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.3 -20.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' TRP . 39.5 m-85 -79.24 15.22 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.558 ' C ' ' CE2' ' A' ' 120' ' ' TYR . . . 109.75 166.98 19.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.58 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 27.7 ttp -59.97 -43.15 95.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 19' ' ' MET . 9.0 p-10 -32.22 -41.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' OE1' ' CD ' ' A' ' 24' ' ' LYS . 63.2 mm-40 -76.91 -66.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -36.04 -35.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD13 ' CH2' ' A' ' 48' ' ' TRP . 81.2 mt -66.73 -55.35 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -49.13 -36.7 19.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.479 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 19.0 t70 -85.59 141.12 36.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.656 0.741 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.75 -45.4 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 31' ' ' GLN . 98.2 t -69.67 -57.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.39 -29.18 2.49 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -67.24 -48.8 66.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.5 pt-20 -69.75 -43.69 71.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HG2' HG12 ' A' ' 27' ' ' VAL . 18.1 mm100 -53.54 -60.45 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CE1' HD11 ' A' ' 36' ' ' LEU . 20.4 t80 -50.8 -38.11 46.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -62.25 -54.2 44.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . 33.4 mttm -35.24 -61.85 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -47.02 -54.55 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD11 ' CE1' ' A' ' 32' ' ' PHE . 8.9 mp -47.4 -58.13 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -38.75 -35.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -71.26 -50.0 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 41' ' ' SER . 10.4 pt-20 -77.84 11.22 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 53.66 43.28 31.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.468 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 3.1 m -115.71 -21.4 9.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLU . 59.8 p -34.83 -44.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' SER . 1.3 mm-40 -35.07 -48.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -53.21 -57.73 9.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' ARG . 24.6 tp -65.51 -56.42 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LEU . 36.6 mtp180 -34.92 -43.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.571 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.8 t80 -69.38 -49.82 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 16.1 t90 -50.08 -63.11 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -47.52 -46.85 27.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.78 -43.37 37.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.42 -54.86 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 32.2 mm-40 -41.84 -42.03 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 54' ' ' LEU . 10.2 t0 -75.73 -43.61 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 69' ' ' ILE . 59.5 tp -34.4 -65.42 0.2 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -49.12 -48.89 44.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -52.36 -40.23 61.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -53.7 152.66 9.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.548 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.74 163.06 39.65 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.87 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -55.16 -29.05 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -71.95 -31.87 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -108.32 10.72 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -73.28 -58.61 2.36 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.3 Cg_endo -69.7 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.6 m -41.87 -36.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' VAL . 16.3 mmt-85 -82.08 -42.92 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 62' ' ' VAL . 23.3 t -32.74 -65.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 6.1 pt20 -61.52 -48.47 80.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 67.4 mm-40 -46.49 -63.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.475 ' CD1' HD13 ' A' ' 54' ' ' LEU . 25.3 mt -47.52 -44.01 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.519 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -71.79 -18.79 62.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.976 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 22.8 mt-30 -92.09 -2.12 56.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.549 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 11.0 tt0 -107.04 -39.5 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 4.4 m-85 -117.99 -42.14 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 70' ' ' TRP . 18.0 mt -86.55 17.78 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.976 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -111.66 149.84 41.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -54.37 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -91.6 53.88 3.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.443 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -122.62 156.16 61.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.542 0.687 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.7 Cg_endo -69.78 -52.76 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.603 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -87.06 18.0 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.13 109.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.9 pt -94.29 -176.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -130.57 130.94 44.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 111' ' ' ILE . 37.5 mt -123.7 165.23 17.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.82 165.06 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.9 p -67.22 -44.85 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 88' ' ' SER . 14.4 ptpt -72.36 -43.01 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 67.6 m -63.87 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -46.68 -47.96 20.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.66 -52.64 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -51.92 -48.81 64.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.6 m -61.04 -52.18 66.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.7 m -39.72 -47.45 2.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -67.46 -44.45 78.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.619 ' HB3' HG23 ' A' ' 103' ' ' THR . 89.8 m-20 -58.63 -41.27 85.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.485 HG21 ' CE3' ' A' ' 70' ' ' TRP . 88.5 t -47.55 -46.06 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -39.77 -43.24 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.85 116.17 62.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HA ' HG21 ' A' ' 66' ' ' VAL . 54.0 Cg_endo -69.77 140.77 43.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.616 2.211 . . . . 0.0 112.362 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.75 -151.05 6.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -114.3 -35.89 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' GLU . 5.4 m-85 -111.92 16.77 20.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.619 HG23 ' HB3' ' A' ' 95' ' ' ASN . 87.4 m -53.36 -38.12 63.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -98.89 17.63 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 5.4 tp10 -49.92 -51.95 37.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -60.98 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.91 -61.79 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.586 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 27.0 tt0 -44.81 -38.72 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -71.32 -47.0 59.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -52.32 -58.13 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.437 HD11 ' CD2' ' A' ' 84' ' ' LEU . 46.9 mm -59.51 -34.84 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -58.0 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 20.6 mtmt -50.03 -29.92 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.524 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -67.84 -74.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.467 ' O ' ' C ' ' A' ' 116' ' ' LYS . 65.8 mtm -37.97 -42.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 115' ' ' MET . 18.7 mtpp -32.98 -71.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 40.3 t -102.96 17.82 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.524 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -98.92 -66.07 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.559 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 20.4 m -93.38 -50.93 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.4 t80 -33.5 -50.7 0.76 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.668 0.747 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.559 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.5 Cg_exo -47.94 -53.96 5.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.378 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.504 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 42.8 mtt180 -61.44 -39.23 90.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -63.61 -40.62 97.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.95 -43.97 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.504 ' CG ' ' HA ' ' A' ' 122' ' ' ARG . 4.3 ppt_? -73.08 -30.15 63.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.484 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 83.8 p -66.53 128.32 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 128' ' ' ALA . 32.3 m -43.24 -41.44 3.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.36 -36.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 129' ' ' TYR . 4.0 t80 -81.91 -46.04 14.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -59.64 -52.75 64.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 17.5 pt-20 -43.09 -41.13 3.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.491 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 69.8 mt -62.08 -46.33 89.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.752 0.31 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -68.38 -47.11 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -57.1 -54.6 44.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.5 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 67.1 t -42.28 -60.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HB2' HD21 ' A' ' 133' ' ' LEU . 45.9 tttt -49.08 -42.82 40.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' TRP . 8.8 tpt180 -53.97 -46.22 71.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 51.8 m0 -38.05 -35.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.3 -145.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 50.55 34.66 9.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.99 138.25 10.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 20' ' ' ASP . 45.4 ttp -39.94 -38.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 19' ' ' MET . 28.9 m-20 -32.68 -60.03 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' ALA . 15.8 mm-40 -56.88 -62.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -36.9 -42.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' CH2' ' A' ' 48' ' ' TRP . 39.5 mt -65.59 -55.01 19.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' LEU . 2.2 mptm? -37.05 -59.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.8 t70 -73.72 141.34 79.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.1 Cg_endo -69.82 -46.64 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.217 . . . . 0.0 112.378 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.24 -48.44 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.15 -28.09 40.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -68.59 -47.15 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.6 pt-20 -73.5 -43.53 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 48.3 mm-40 -56.4 -56.97 14.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 9.9 t80 -54.48 -35.2 62.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -65.56 -54.62 25.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 37.6 mttm -35.09 -58.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 126' ' ' SER . 53.2 t80 -50.55 -48.62 57.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 32' ' ' PHE . 6.4 mp -54.35 -53.05 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -40.93 -42.83 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -61.11 -50.56 72.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.75 15.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 52.78 38.9 27.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' SER . 34.6 m -108.51 -19.95 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 30.9 p -37.01 -47.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' SER . 37.7 mt-10 -33.93 -61.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -40.03 -58.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ARG . 45.9 tp -65.73 -60.93 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' LEU . 63.5 mtt180 -35.47 -45.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.46 -51.17 64.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.558 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 9.8 t90 -50.75 -57.87 7.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.3 mt -51.99 -50.78 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.74 -43.69 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.12 -44.82 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -55.69 -50.1 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 54' ' ' LEU . 41.7 t0 -69.46 -40.44 77.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 67.1 tp -33.98 -56.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -51.69 -48.72 63.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . 27.3 mmtp -54.85 -41.71 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.933 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -52.31 147.37 13.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.822 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 160.84 48.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.621 2.214 . . . . 0.0 112.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.48 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 7.2 tp -53.42 -34.86 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.13 -29.81 70.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -113.52 14.46 19.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -72.55 -58.45 2.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.707 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.4 Cg_endo -69.79 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -44.05 -37.81 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.5 tpt180 -78.51 -44.9 23.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 62' ' ' VAL . 39.5 t -37.19 -65.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -58.86 -46.05 88.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -47.12 -64.66 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.6 mt -46.05 -43.19 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.576 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -72.55 -24.69 61.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.779 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.1 mt-30 -83.09 -6.24 59.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.535 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 2.1 tp10 -108.09 -50.93 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 80' ' ' SER . 47.7 m-85 -98.01 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 92' ' ' THR . 31.1 mt -71.01 17.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.17 143.5 30.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 0.0 111.112 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . 53.5 Cg_endo -69.79 162.81 40.67 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.703 2.268 . . . . 0.0 112.385 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 42.87 21.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.671 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -84.55 155.38 62.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.553 0.692 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.408 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.83 -35.78 11.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.533 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 69.5 m -109.46 17.95 20.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -51.97 116.46 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.3 pt -95.1 -176.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -130.02 127.35 39.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.1 mt -126.67 174.1 8.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -63.87 169.33 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -64.57 -59.55 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -64.55 -44.53 90.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.1 m -56.07 -61.47 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -49.84 -53.67 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -54.42 -49.82 69.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -46.65 -57.99 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.584 HG21 HD13 ' A' ' 74' ' ' LEU . 96.0 m -52.7 -54.83 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.533 HG23 ' CH2' ' A' ' 70' ' ' TRP . 22.1 m -39.04 -39.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -74.09 -46.4 43.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.433 ' HB3' HG23 ' A' ' 103' ' ' THR . 23.9 m-20 -57.06 -44.01 82.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.438 HG21 ' CE3' ' A' ' 70' ' ' TRP . 89.5 t -39.69 -45.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 96' ' ' VAL . 28.5 mmtt -34.59 -45.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -100.39 116.7 64.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 120.02 6.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -150.23 -168.0 14.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -97.93 -48.61 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.25 17.88 11.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.433 HG23 ' HB3' ' A' ' 95' ' ' ASN . 81.9 m -54.85 -43.7 73.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.6 17.58 11.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -47.14 -48.38 23.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -52.24 -63.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.72 -54.77 9.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.558 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 10.7 tt0 -46.53 -40.6 12.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -66.53 -53.74 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -49.27 -57.43 6.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 48.2 mm -61.09 -45.05 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -47.58 -57.63 5.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.494 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 22.8 mtmt -56.65 -32.54 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.6 tp -68.84 -67.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 116' ' ' LYS . 73.6 mtm -41.58 -42.25 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.494 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 26.0 mtpt -33.62 -68.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 0.3 OUTLIER -113.49 17.98 17.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 31.7 t70 -98.23 -69.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.57 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 3.2 p -89.44 -51.21 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.731 ' CE1' HD11 ' A' ' 124' ' ' ILE . 2.2 t80 -33.73 -50.12 0.8 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.677 0.751 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.57 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.3 Cg_exo -47.99 -65.95 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -39.42 -51.05 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.581 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 13.0 t80 -39.24 -56.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.816 ' H ' HD12 ' A' ' 124' ' ' ILE . 4.7 mp -61.35 -38.12 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -58.38 -55.42 35.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.56 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 8.0 t -55.78 161.11 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 128' ' ' ALA . 4.8 m -81.78 -33.13 31.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.88 -42.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.414 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 14.8 t80 -67.87 -49.51 61.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -59.54 -44.7 93.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.75 -58.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.52 -46.8 73.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 13' ' ' LYS . 4.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.756 0.312 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -56.99 -41.94 79.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -52.21 -43.96 64.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.753 HG22 ' CH2' ' A' ' 15' ' ' TRP . 94.3 t -57.52 -46.57 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HB2' HD21 ' A' ' 133' ' ' LEU . 23.7 tptt -54.9 -39.8 69.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.44 ' CG ' ' OE1' ' A' ' 21' ' ' GLU . 9.4 tpt180 -49.32 -37.33 23.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.753 ' CH2' HG22 ' A' ' 12' ' ' VAL . 2.1 m0 -68.95 -25.89 64.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.49 11.3 4.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -103.35 -37.57 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.475 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 172.21 145.22 4.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' ASP . 42.4 ttp -37.75 -45.77 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' MET . 32.4 t0 -32.26 -57.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' LEU . 35.0 mm-40 -64.21 -64.0 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -34.75 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' GLU . 40.5 mt -76.6 -55.22 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 1.2 ptmm? -47.88 -37.98 15.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 19.9 m-20 -83.48 144.09 45.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.642 2.228 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.66 -52.7 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.28 -31.18 8.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -65.22 -49.83 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.8 pt-20 -72.49 -44.58 62.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 47.6 mm-40 -55.08 -57.74 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.548 ' O ' HD13 ' A' ' 36' ' ' LEU . 36.1 t80 -52.35 -36.67 54.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.5 tp -66.24 -53.22 39.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 50.8 mttt -34.62 -59.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 38' ' ' SER . 60.8 t80 -55.29 -52.84 62.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 32' ' ' PHE . 5.6 mp -41.34 -52.36 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -45.05 -38.65 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 25.5 m -66.65 -52.33 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 2.9 pt-20 -78.7 15.81 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 51.93 44.76 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' SER . 38.9 t -116.08 -17.04 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 66.1 p -35.38 -38.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' ASN . 34.8 mt-10 -55.04 -57.35 12.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.1 m-20 -36.63 -61.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.2 tp -64.96 -53.08 51.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -40.63 -42.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 51' ' ' VAL . 19.4 t80 -70.24 -42.12 72.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.577 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 28.7 t90 -61.17 -54.17 47.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.22 -50.13 67.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.07 -44.29 31.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 47' ' ' PHE . 84.8 t -63.24 -48.84 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 24.1 mm-40 -52.09 -41.73 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 54' ' ' LEU . 85.7 m-20 -77.83 -41.41 37.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' ASP . 54.1 tp -35.16 -62.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.86 -44.16 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -55.91 -40.08 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -52.83 152.44 7.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.729 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.585 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.72 160.03 51.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.357 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 tp -52.79 -28.62 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -31.35 62.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.54 9.19 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -74.42 -58.82 1.76 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.77 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.2 m -43.62 -36.17 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' VAL . 1.9 tpt180 -78.54 -41.89 30.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 62' ' ' VAL . 37.5 t -36.76 -66.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 18.4 pt20 -54.74 -47.68 73.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 78.3 mm-40 -48.26 -64.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mt -42.19 -47.37 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.602 ' CE3' ' CB ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -70.62 -31.4 68.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.81 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.5 mt-30 -76.78 -7.64 55.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.551 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 17.9 tt0 -107.69 -49.27 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 75' ' ' ALA . 16.4 m-85 -97.98 -63.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.69 HD13 HG21 ' A' ' 92' ' ' THR . 54.9 mt -71.02 18.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.81 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -114.11 141.11 25.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 111.114 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.21 50.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.82 17.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.96 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -80.76 159.05 69.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.539 0.685 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.534 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.7 Cg_endo -69.77 -43.31 2.72 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.31 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.72 17.95 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.96 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -49.97 122.4 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.5 pt -101.96 -178.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -124.3 138.65 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 74' ' ' LEU . 16.2 mt -132.7 176.17 8.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -72.39 161.89 30.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 p -63.56 -48.68 76.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 88' ' ' SER . 11.0 ptpp? -67.38 -40.73 85.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 59.1 m -66.37 -60.58 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -44.21 -45.68 8.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.91 -54.02 50.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -47.98 -46.49 32.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.69 HG21 HD13 ' A' ' 74' ' ' LEU . 98.1 m -61.37 -62.04 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.0 m -40.46 -42.51 1.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -66.54 -43.28 85.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' VAL . 10.4 m-20 -64.38 -46.52 82.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LYS . 88.5 t -35.76 -39.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -34.57 -50.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -112.65 111.3 51.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 132.13 22.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.1 -137.83 3.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -117.8 -34.86 4.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -112.48 17.67 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 98.2 m -55.86 -39.04 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -97.51 17.51 17.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -52.23 -50.12 62.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.07 -58.36 7.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.26 -59.04 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.577 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 50.4 tt0 -44.57 -39.77 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -69.57 -49.68 51.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -48.94 -56.04 10.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.463 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 45.8 mm -61.4 -49.67 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.409 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 37.0 t80 -43.07 -62.84 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.486 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 41.4 mtmt -49.95 -39.2 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.546 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER -63.08 -66.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 116' ' ' LYS . 74.1 mtm -39.57 -45.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 8.6 mtpm? -33.23 -69.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.47 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.6 t -108.4 18.93 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.546 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 7.9 t0 -98.01 -70.88 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.607 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.1 t -92.16 -53.51 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.535 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 1.2 t80 -32.5 -49.84 0.56 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.738 0.78 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.607 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.6 Cg_exo -48.03 -59.62 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.234 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 123' ' ' PHE . 50.0 mmt-85 -47.18 -52.33 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 122' ' ' ARG . 5.5 t80 -35.22 -47.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 124' ' ' ILE . 5.0 mp -67.77 -50.07 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -48.41 -42.84 33.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 p -73.64 155.56 38.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' ALA . 5.8 m -80.29 -30.0 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.39 -44.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -75.08 -45.67 39.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -54.69 -48.62 72.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -40.55 -48.35 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.2 mp -54.57 -46.53 73.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 13' ' ' LYS . 12.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.71 0.291 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -61.64 -46.34 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -55.52 -55.82 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.526 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 94.2 t -42.57 -57.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -39.01 -45.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 16.0 mtt180 -52.64 -46.11 66.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.526 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 24.7 m0 -48.62 -28.57 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.26 28.96 2.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 19.1 m-85 -116.38 15.34 15.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.17 151.08 9.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' ASP . 20.5 ttp -43.78 -48.62 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' MET . 2.4 t70 -34.71 -65.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.3 -50.84 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.79 -45.64 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD13 ' CH2' ' A' ' 48' ' ' TRP . 8.2 mt -67.22 -49.54 64.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' LEU . 16.1 mmtm -34.22 -62.07 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.459 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 19.9 t70 -69.5 141.78 91.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.0 Cg_endo -69.81 -45.32 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.17 -44.67 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.9 -29.55 59.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -64.58 -48.68 74.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -73.53 -41.64 62.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -58.02 -58.88 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.554 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 25.9 t80 -54.9 -33.2 61.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.3 tp -65.71 -55.91 14.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . 36.0 mttt -34.84 -56.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 49.3 t80 -51.46 -39.92 58.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 33' ' ' LEU . 44.4 mt -57.26 -61.04 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -37.15 -43.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -56.26 -54.68 42.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.599 ' OE2' ' CE2' ' A' ' 35' ' ' PHE . 15.3 pt-20 -82.29 11.26 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 55.71 39.02 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.403 ' CB ' ' HG3' ' A' ' 39' ' ' GLU . 81.3 p -117.33 17.26 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -69.52 -38.94 77.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HG3' HG22 ' A' ' 82' ' ' ILE . 5.9 pt-20 -45.19 -50.84 11.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -44.51 -43.14 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.61 -49.43 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' HD2' HH11 ' A' ' 46' ' ' ARG . 0.9 OUTLIER -43.13 -47.49 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -43.42 92.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.566 ' CH2' HD13 ' A' ' 23' ' ' LEU . 29.6 t90 -57.55 -50.16 74.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.09 -52.32 56.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.06 -46.0 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.513 HG11 ' OE1' ' A' ' 108' ' ' GLN . 89.7 t -62.64 -53.92 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -45.89 -37.12 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 56' ' ' LYS . 22.9 t70 -83.55 -42.07 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 53' ' ' ASP . 42.4 tp -32.33 -64.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -47.71 -42.3 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 53' ' ' ASP . 11.7 mmpt? -56.63 -40.8 76.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -53.64 150.04 14.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.702 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.717 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.2 Cg_endo -69.79 166.18 28.48 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.028 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.2 -31.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.13 -30.78 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -114.21 10.51 17.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.0 t -73.49 -58.22 2.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.1 Cg_endo -69.75 -51.47 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.1 m -42.11 -36.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -78.37 -41.81 32.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ARG . 43.3 t -35.05 -67.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.05 -45.23 87.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.9 mm-40 -50.87 -66.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.6 mt -40.88 -39.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.538 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.56 -32.11 57.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 1.009 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 26.8 mt-30 -81.51 -4.24 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 27.7 tt0 -96.2 -47.22 6.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 80' ' ' SER . 2.7 m-85 -117.92 -37.99 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.643 HD13 HG21 ' A' ' 92' ' ' THR . 28.2 mt -84.25 17.95 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.009 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -111.06 150.87 42.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 111.075 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.49 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.64 45.24 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -109.39 154.67 42.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 16.5 m -90.87 18.01 7.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -46.14 112.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' A' ' 73' ' ' PHE . 6.7 pt -95.11 -177.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -125.67 133.1 52.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.1 mt -129.8 174.01 10.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -66.07 176.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.9 p -79.47 -49.19 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -69.84 -41.95 74.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.487 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 45.6 m -61.4 -60.75 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -44.42 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -41.3 -58.21 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -49.53 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.643 HG21 HD13 ' A' ' 74' ' ' LEU . 89.1 m -53.7 -56.9 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.3 m -44.12 -43.4 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -71.4 -44.1 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.521 ' HB3' HG23 ' A' ' 103' ' ' THR . 79.1 m-20 -57.77 -47.8 81.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 92' ' ' THR . 88.8 t -40.24 -44.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -39.45 -45.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -98.48 113.64 64.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 122.31 8.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.22 -161.88 10.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -105.92 -36.6 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -103.1 16.65 26.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 95' ' ' ASN . 75.2 m -56.2 -35.86 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.421 ' CE1' HD12 ' A' ' 74' ' ' LEU . 83.9 m-85 -104.22 17.29 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -54.56 -42.46 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -64.15 -67.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.85 -49.41 29.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.513 ' OE1' HG11 ' A' ' 51' ' ' VAL . 33.2 tt0 -55.51 -36.92 67.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.518 ' O ' ' CD ' ' A' ' 113' ' ' LYS . 1.7 tt0 -69.3 -36.85 77.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 113' ' ' LYS . 16.0 t60 -59.87 -55.98 27.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.409 HG22 ' CE ' ' A' ' 115' ' ' MET . 41.3 mm -53.58 -31.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 17.1 t80 -58.08 -62.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.518 ' CD ' ' O ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -54.5 -15.03 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.2 tp -89.97 -71.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.421 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 37.2 mtm -43.03 -37.87 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.531 ' HG3' ' N ' ' A' ' 117' ' ' SER . 6.4 ptmm? -54.01 -45.21 71.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.531 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 3.3 m -117.78 14.2 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 114' ' ' LEU . 17.4 t70 -103.34 -63.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.567 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.9 m -95.61 -50.69 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.799 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.547 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 1.7 t80 -37.73 -48.42 2.69 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.667 0.746 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.567 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.2 Cg_exo -47.96 -55.49 3.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -64.38 -43.96 92.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 79.7 t80 -45.27 -39.16 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.6 mm -65.84 -39.78 85.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 121' ' ' PRO . 3.8 mpt_? -67.82 -47.09 70.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.5 p -52.06 161.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 128' ' ' ALA . 1.4 t -77.83 -36.11 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.79 -35.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -81.14 -44.5 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' GLU . 39.1 mm-40 -62.17 -55.14 31.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 8.3 pt-20 -36.72 -38.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.503 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 23.1 mt -65.99 -50.19 65.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.906 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 133' ' ' LEU . 39.1 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.755 0.312 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.77 -41.68 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 11' ' ' ARG . 9.9 ttt180 -58.82 -55.88 29.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 87.2 t -41.48 -40.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -52.7 -49.2 65.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 30.4 mmt-85 -39.78 -52.97 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.575 ' CZ3' HG22 ' A' ' 12' ' ' VAL . 1.4 m0 -56.93 -42.01 79.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.33 -27.34 2.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -67.47 -47.03 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 120' ' ' TYR . . . 176.72 169.06 37.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.4 ' HG2' HD11 ' A' ' 23' ' ' LEU . 9.7 ttp -50.07 -46.21 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -41.63 -58.53 1.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 9.7 mm-40 -64.49 -26.01 68.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.473 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -76.25 -31.02 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.638 HD22 ' CZ3' ' A' ' 48' ' ' TRP . 10.8 mt -81.75 -55.19 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 16.8 ptmt -38.17 -38.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -87.66 143.61 34.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.572 0.701 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.86 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.03 -45.09 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -28.34 51.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.665 HH21 HD13 ' A' ' 49' ' ' LEU . 36.4 mtp180 -66.87 -51.35 56.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.7 pt-20 -70.66 -44.4 67.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 59.4 mm-40 -55.41 -60.79 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 4.6 t80 -54.72 -34.01 61.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.597 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.4 tp -64.53 -57.43 9.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 21.4 mttm -34.32 -63.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 25.8 t80 -42.71 -44.71 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 33' ' ' LEU . 48.1 mt -56.66 -51.9 66.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -39.08 -39.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 40.2 m -58.18 -61.9 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.573 ' OE2' ' CE2' ' A' ' 35' ' ' PHE . 11.0 pm0 -71.19 2.96 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 57.98 41.29 24.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' SER . 79.9 p -110.9 -20.78 12.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . 69.2 p -36.6 -41.46 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' SER . 24.6 pt-20 -37.03 -46.39 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 15.2 m-20 -55.42 -50.98 68.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' TRP . 53.0 tp -69.06 -58.65 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' LEU . 62.2 mtt180 -35.42 -47.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 1.3 t80 -64.39 -43.05 95.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.638 ' CZ3' HD22 ' A' ' 23' ' ' LEU . 57.4 t90 -56.82 -54.05 50.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.665 HD13 HH21 ' A' ' 29' ' ' ARG . 48.0 mt -57.55 -41.96 82.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.03 -43.0 66.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.5 t -58.98 -48.38 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -58.14 -54.86 42.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.4 t70 -58.99 -45.69 89.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASP . 22.9 tp -37.62 -57.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -46.8 -48.46 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -52.45 -45.45 66.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -52.03 141.45 29.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.468 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.2 Cg_endo -69.67 165.15 31.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.7 tp -51.51 -30.46 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -67.7 -30.22 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -115.03 12.82 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.555 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -76.34 -56.55 1.5 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 -55.91 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.284 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.5 p -40.56 -36.89 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.4 tpp180 -77.89 -47.03 19.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 62' ' ' VAL . 38.1 t -32.84 -68.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.43 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 16.3 pt20 -55.78 -47.9 76.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.9 mm-40 -49.26 -62.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.7 mt -49.62 -41.15 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.526 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.74 -19.69 61.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.924 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 25.0 mt-30 -92.45 -2.51 56.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.531 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 22.0 tt0 -98.97 -45.22 6.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD2' ' CB ' ' A' ' 80' ' ' SER . 0.8 OUTLIER -118.02 -40.98 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.526 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 31.6 mt -82.14 17.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.924 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.14 151.18 46.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -53.19 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -91.42 53.29 3.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -123.31 155.18 65.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.78 -52.3 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.578 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 11.7 m -85.22 18.01 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.87 104.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 80' ' ' SER . 31.9 pt -91.47 -178.01 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -127.58 131.18 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -122.5 153.4 39.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -58.63 145.68 38.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -47.9 -39.53 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -68.37 -60.51 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 m -52.92 -57.13 11.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -46.53 -56.75 5.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -44.23 -50.78 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -59.32 -55.89 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 96' ' ' VAL . 89.5 m -50.89 -62.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 m -41.44 -40.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -72.37 -43.26 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -60.5 -43.85 96.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 97' ' ' LYS . 83.5 t -41.62 -42.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 96' ' ' VAL . 9.3 mptt -32.1 -49.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 98' ' ' GLU . 2.0 pp20? -110.33 112.24 57.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 127.67 14.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.01 -138.87 3.28 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -117.97 -34.58 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -104.09 17.29 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.0 m -54.41 -46.44 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -99.93 17.86 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.89 -42.7 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -64.91 -64.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.9 -46.84 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.491 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 15.2 tt0 -51.58 -38.59 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.492 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 26.2 tt0 -71.46 -46.22 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -53.03 -55.37 24.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.518 HG22 ' CE ' ' A' ' 115' ' ' MET . 47.8 mm -60.18 -42.78 91.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.4 t80 -55.61 -56.14 23.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.502 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.0 mtmp? -56.1 -13.59 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.591 HD11 ' OD2' ' A' ' 118' ' ' ASP . 1.9 tp -94.89 -69.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.518 ' CE ' HG22 ' A' ' 111' ' ' ILE . 62.0 mtm -42.92 -36.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 117' ' ' SER . 13.9 ptmt -48.79 -50.22 35.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.52 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 33.7 t -117.94 15.94 14.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.591 ' OD2' HD11 ' A' ' 114' ' ' LEU . 11.2 t70 -105.28 -59.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.563 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 12.1 p -94.75 -54.54 3.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.81 ' O ' HD12 ' A' ' 124' ' ' ILE . 2.9 t80 -35.22 -49.86 1.21 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.659 0.742 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.563 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.9 Cg_exo -47.94 -55.86 3.63 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.718 2.278 . . . . 0.0 112.375 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.463 HH11 ' HD2' ' A' ' 122' ' ' ARG . 10.8 mmt180 -56.79 -42.56 79.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 7.8 t80 -45.73 -47.96 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.81 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.2 mp -59.29 -43.61 90.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.07 -42.36 89.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.6 t -60.05 142.61 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 8.7 t -64.26 -39.53 94.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.45 -40.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.445 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 3.4 t80 -76.79 -45.98 26.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -59.9 -55.62 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 7.9 pt-20 -40.19 -42.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.566 ' HB3' HG21 ' A' ' 12' ' ' VAL . 32.5 mt -58.9 -50.81 72.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.45 ' O ' ' CD ' ' A' ' 9' ' ' GLN . 11.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -55.45 -49.93 71.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 11' ' ' ARG . 35.6 ttp180 -57.62 -35.63 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 77.6 t -59.67 -61.1 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' TRP . 2.5 ttpm? -50.49 -47.61 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' LYS . 13.7 mmt-85 -37.02 -32.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 11.3 m0 -66.4 -51.06 60.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -43.12 -19.52 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' TRP . 90.2 m-85 -76.44 13.71 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.383 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.54 161.44 11.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.543 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.538 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 26.7 ttp -61.62 -44.09 97.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -37.87 -42.31 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -70.52 -40.77 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -67.43 -35.97 80.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.946 HD13 ' CH2' ' A' ' 48' ' ' TRP . 58.5 mt -65.8 -53.53 39.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 10.8 pttt -51.82 -30.37 23.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.489 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 38.2 m-20 -96.18 143.68 26.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 0.0 110.849 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.78 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.629 2.219 . . . . 0.0 112.377 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 94.7 t -62.71 -61.91 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.99 -30.14 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 26' ' ' PRO . 6.8 mtp-105 -65.06 -49.94 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 10.7 pt-20 -69.58 -44.62 70.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 19.1 mm100 -50.9 -60.75 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 35.9 t80 -54.64 -40.55 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.5 tp -58.49 -55.48 34.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LEU . 39.0 mttt -36.77 -61.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -49.05 -51.08 33.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 8.0 mp -51.46 -57.68 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -40.67 -46.56 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -56.97 -48.04 79.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.615 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.8 pt-20 -83.61 15.7 3.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.615 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER 50.75 45.7 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.1 m -118.01 -18.55 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.401 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 24.5 p -41.96 -34.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -46.2 -41.86 13.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -57.93 -54.15 50.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' TRP . 60.2 tp -67.79 -58.28 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LEU . 6.5 mtp-105 -34.4 -41.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.508 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 10.6 t80 -70.61 -46.64 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.946 ' CH2' HD13 ' A' ' 23' ' ' LEU . 55.0 t90 -50.42 -58.15 6.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.36 -45.08 84.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.61 -41.22 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.33 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.25 -46.83 82.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' LEU . 8.1 m-20 -72.73 -41.11 65.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' ASP . 28.7 tp -36.78 -66.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 0.6 OUTLIER -51.54 -42.13 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -58.9 -37.18 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' NH1' ' HD3' ' A' ' 65' ' ' ARG . 17.9 mmt85 -53.45 149.44 14.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.587 ' O ' HG23 ' A' ' 62' ' ' VAL . 52.9 Cg_endo -69.82 161.71 44.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.929 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -52.23 -36.34 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -66.47 -28.91 68.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -115.35 14.64 16.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -78.94 -58.34 0.71 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.77 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -48.06 -37.3 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' VAL . 7.4 tpt180 -75.42 -45.65 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.506 HG21 ' HA ' ' A' ' 99' ' ' PRO . 17.2 t -33.45 -61.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 13.5 pt20 -60.78 -49.88 75.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 60.6 mm-40 -44.35 -62.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.7 mt -48.96 -43.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.681 ' CE3' HG21 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -71.16 -19.57 62.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.926 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 36.3 mt-30 -93.74 -2.61 53.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.1 tp10 -97.37 -47.65 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -117.98 -37.96 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 70' ' ' TRP . 21.1 mt -83.54 17.99 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.926 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.1 149.55 43.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -53.2 0.28 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.57 43.74 3.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -114.51 154.98 46.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.548 0.69 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.78 -51.73 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 5.8 m -86.0 17.98 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -45.85 107.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' A' ' 73' ' ' PHE . 11.5 pt -91.95 -178.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -129.54 136.89 50.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 111' ' ' ILE . 36.8 mt -130.45 171.38 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -70.39 167.72 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.5 t -67.6 -43.98 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -70.03 -42.76 72.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.3 m -68.28 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -42.62 -53.85 4.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -49.53 -61.96 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -44.89 -49.15 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 96' ' ' VAL . 92.6 m -60.58 -59.24 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.421 HG23 ' CH2' ' A' ' 70' ' ' TRP . 22.9 m -38.19 -45.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -70.86 -48.65 52.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.567 ' HB3' HG23 ' A' ' 103' ' ' THR . 23.8 m-20 -53.39 -40.65 65.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.681 HG21 ' CE3' ' A' ' 70' ' ' TRP . 91.8 t -44.51 -56.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.486 ' N ' ' HE2' ' A' ' 97' ' ' LYS . 0.6 OUTLIER -34.94 -36.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' VAL . 13.6 mt-10 -95.37 106.14 24.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.678 0.751 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.506 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.4 Cg_endo -69.81 114.03 3.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.88 -150.85 5.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 41.3 mtm180 -116.09 -37.0 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 105' ' ' GLU . 11.8 m-85 -109.7 17.81 20.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.567 HG23 ' HB3' ' A' ' 95' ' ' ASN . 88.6 m -54.78 -33.42 61.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -98.92 18.01 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 56.9 tt0 -52.74 -53.46 47.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -53.67 -60.83 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 110' ' ' HIS . . . -46.97 -60.14 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.52 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 10.6 tt0 -39.82 -39.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -72.66 -40.97 65.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' ALA . 19.9 t60 -57.99 -52.46 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.461 HD11 HD21 ' A' ' 84' ' ' LEU . 29.1 mm -62.26 -42.51 95.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 6.1 t80 -54.42 -57.49 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 44.6 mtmt -55.89 -16.38 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.549 HD11 ' OD1' ' A' ' 118' ' ' ASP . 0.6 OUTLIER -90.85 -72.75 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.465 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 35.3 mtm -41.02 -43.64 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.9 ptmt -42.05 -46.64 4.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.506 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 32.3 t -117.18 17.51 14.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.549 ' OD1' HD11 ' A' ' 114' ' ' LEU . 1.3 t70 -98.55 -64.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.565 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -97.93 -52.51 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.764 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -32.9 -50.78 0.63 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.945 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.8 Cg_exo -48.01 -59.85 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mtp-105 -68.07 -43.85 77.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.2 -48.95 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 53.4 mt -56.44 -43.72 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.17 -41.46 98.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.5 t -59.64 136.98 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' ALA . 32.7 t -53.11 -35.46 59.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.05 -42.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -68.72 -49.78 56.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' GLU . 39.1 mm-40 -59.9 -38.55 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' GLN . 6.7 mm-40 -35.19 -45.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.543 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.4 mm? -68.63 -50.1 54.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.927 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.767 0.318 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -66.46 -44.6 82.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -51.95 -45.54 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 15' ' ' TRP . 81.3 t -50.15 -59.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -40.33 -40.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -51.8 -42.33 62.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 12' ' ' VAL . 5.8 m0 -57.91 -21.76 45.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.83 34.94 1.64 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.553 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -141.48 102.39 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.59 -166.85 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' ASP . 8.5 ttp -92.02 -44.26 8.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.77 0.319 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' MET . 2.0 m-20 -36.64 -51.15 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.4 -61.29 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.42 -41.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.514 HD13 ' CH2' ' A' ' 48' ' ' TRP . 8.1 mt -71.07 -50.61 31.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' LEU . 6.6 mtpm? -36.09 -62.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.97 143.65 96.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -50.1 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.7 -43.09 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.38 -26.82 59.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -69.07 -47.24 65.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.743 0.306 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.9 pt-20 -73.04 -46.92 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 40.4 mm-40 -54.84 -57.69 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 49.7 t80 -55.3 -39.01 69.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 36' ' ' LEU . 1.1 tp -60.5 -57.09 14.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 51.3 mttt -34.46 -60.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -46.44 -43.6 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 33' ' ' LEU . 56.8 mt -55.24 -60.72 3.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' OE2' ' NH2' ' A' ' 46' ' ' ARG . 62.5 mt-10 -36.86 -41.65 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -57.77 -56.61 19.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -74.29 4.56 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 52.39 44.23 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.442 ' O ' ' OD1' ' A' ' 44' ' ' ASN . 67.3 m -116.91 -24.22 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 43' ' ' GLU . 19.6 p -41.41 -31.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.531 ' HG3' HG22 ' A' ' 82' ' ' ILE . 5.4 pt-20 -33.29 -38.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.481 ' HB2' ' CG2' ' A' ' 111' ' ' ILE . 0.8 OUTLIER -72.62 -58.53 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -49.51 -46.37 48.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' NH2' ' OE2' ' A' ' 37' ' ' GLU . 15.5 mmt180 -46.49 -59.42 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.588 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.3 t80 -58.46 -44.81 89.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.514 ' CH2' HD13 ' A' ' 23' ' ' LEU . 69.0 t90 -49.91 -49.33 50.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.3 -44.85 74.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.96 -41.82 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' GLU . 60.8 t -58.74 -60.52 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' VAL . 59.1 mm-40 -37.0 -51.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -62.86 -52.35 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 63.6 tp -33.03 -49.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HB2' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -59.59 -47.86 83.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 20.2 mmmt -64.62 -35.63 81.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.28 147.52 13.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.419 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.7 158.73 56.01 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.5 tp -52.42 -34.45 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -64.15 -30.67 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -111.6 13.3 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.51 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.92 -58.58 2.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.78 -52.4 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.4 m -43.28 -34.45 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 4.5 tpt180 -79.77 -46.63 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 99' ' ' PRO . 36.1 t -33.74 -64.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 21.4 pt20 -61.79 -47.53 84.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 40.0 mm-40 -44.95 -63.53 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.5 mt -49.19 -40.83 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.609 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.65 -16.54 59.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.901 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.1 mt-30 -92.69 -1.95 56.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' HG2' ' A' ' 79' ' ' PRO . 8.4 tp10 -112.99 -35.4 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 18.2 m-85 -115.22 -49.46 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 52.8 mt -84.03 17.96 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.901 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.26 142.65 29.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 111.165 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.34 69.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.312 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.36 6.72 8.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.449 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -73.92 158.56 85.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.529 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.5 Cg_endo -69.75 -49.55 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.501 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 9.8 m -99.71 17.53 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.763 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -46.38 102.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.531 HG22 ' HG3' ' A' ' 43' ' ' GLU . 32.7 pt -80.55 179.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -129.07 130.67 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mt -129.79 158.34 39.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.412 ' OD2' ' CE1' ' A' ' 110' ' ' HIS . 1.6 m-20 -57.84 165.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.8 t -66.39 -46.05 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -64.71 -41.66 95.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -70.36 -53.12 17.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -56.89 -50.51 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.27 -54.61 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -54.02 -61.41 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 96' ' ' VAL . 94.4 m -42.53 -55.74 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 m -48.66 -59.29 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -49.11 -30.34 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.78 ' HB3' HG23 ' A' ' 103' ' ' THR . 38.3 m-20 -84.74 -34.9 22.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.545 HG21 ' CE3' ' A' ' 70' ' ' TRP . 52.2 t -40.87 -65.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -33.01 -36.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 96' ' ' VAL . 5.1 mm-40 -93.52 107.12 24.25 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.696 0.76 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.491 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.81 119.76 6.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.27 -153.39 5.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -116.01 -32.68 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -110.08 17.98 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 95' ' ' ASN . 77.6 m -56.13 -40.1 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -99.34 17.26 20.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -52.93 -61.43 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -46.93 -55.48 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.99 -51.98 37.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -44.44 -37.32 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.457 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 15.2 tt0 -71.23 -49.03 47.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.412 ' CE1' ' OD2' ' A' ' 85' ' ' ASP . 9.2 t60 -49.0 -48.62 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 44' ' ' ASN . 45.7 mm -66.94 -40.9 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 2.3 t80 -55.31 -51.75 65.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.497 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.2 mtmp? -62.43 -10.93 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.587 HD11 ' OD2' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -94.83 -64.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 38.1 mtm -51.09 -30.29 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.7 ptmt -55.56 -45.28 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.5 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.9 t -116.11 17.82 15.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.587 ' OD2' HD11 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -106.35 -62.84 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.564 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 74.7 m -95.6 -54.47 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.604 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 17.5 t80 -34.91 -49.98 1.08 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.654 0.74 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.604 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 66.2 Cg_exo -48.03 -63.18 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 125' ' ' ARG . 60.7 mtt180 -57.76 -48.55 79.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 73.6 t80 -40.76 -47.51 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 51.0 mm -58.96 -36.93 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.5 ' HD2' ' N ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -75.56 -42.4 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.6 t -55.21 155.41 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.3 m -83.14 -33.73 26.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -36.61 -41.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 123' ' ' PHE . 8.8 t80 -67.56 -50.13 59.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 131' ' ' GLU . 33.4 mm-40 -59.35 -36.95 76.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 130' ' ' GLN . 13.1 mm-40 -36.95 -51.97 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.807 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.7 mm? -64.76 -48.64 73.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.844 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.719 0.295 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -60.6 -43.69 97.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -56.75 -49.39 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.95 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 99.5 t -48.32 -59.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' TRP . 3.2 ttpm? -44.24 -45.88 8.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.455 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 7.6 tpt85 -37.58 -31.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.95 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 4.1 m0 -73.38 -56.72 4.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -36.54 -34.97 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 14' ' ' ARG . 59.1 m-85 -46.7 -44.9 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.606 ' HA2' ' CE1' ' A' ' 120' ' ' TYR . . . 176.38 156.37 15.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' ASP . 28.8 ttp -48.58 -59.77 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' MET . 10.0 m-20 -32.11 -39.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' MET . 5.8 mm-40 -80.62 -59.28 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -43.95 -36.54 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.71 HD13 ' CH2' ' A' ' 48' ' ' TRP . 46.9 mt -64.59 -56.65 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 2.1 pttt -39.08 -36.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.496 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 13.5 t70 -87.93 140.94 31.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.848 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.77 -46.69 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.79 -47.26 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.61 -28.06 64.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -66.13 -47.95 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.05 -41.19 62.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -56.97 -58.28 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 50.9 t80 -53.4 -36.49 61.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.2 tp -62.65 -57.46 10.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 36.4 mttm -36.97 -57.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 32.6 t80 -49.33 -54.72 15.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 32' ' ' PHE . 58.2 mt -47.73 -55.84 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' LEU . 18.7 mt-10 -34.3 -42.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 35' ' ' PHE . 15.2 t -57.69 -55.49 34.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.6 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.3 pm0 -80.11 17.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER 49.68 32.37 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 t -105.17 -14.39 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.505 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 86.1 p -42.02 -38.55 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -50.89 -41.41 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.529 ' O ' HG21 ' A' ' 111' ' ' ILE . 45.9 m-20 -49.02 -51.43 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 46' ' ' ARG . 15.5 tp -77.25 -45.75 25.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 8.5 mmm180 -37.32 -61.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 51' ' ' VAL . 5.8 t80 -52.18 -46.17 65.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.71 ' CH2' HD13 ' A' ' 23' ' ' LEU . 16.6 t90 -52.11 -60.02 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.5 mt -55.34 -45.56 76.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.72 -42.37 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 47' ' ' PHE . 90.0 t -70.21 -56.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.13 -44.41 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.3 t70 -80.56 -42.61 22.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' ' 65' ' ' ARG . 23.4 tp -34.48 -63.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -46.7 -45.59 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 32.3 mmtp -51.73 -42.8 62.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 4.9 mmp_? -51.94 153.31 4.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.675 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 166.09 28.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.05 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.67 -29.87 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -69.39 -30.77 68.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -113.14 11.87 18.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -76.46 -58.96 1.1 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.503 ' N ' HG12 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.73 -50.65 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.6 m -44.99 -38.68 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HB3' HD13 ' A' ' 54' ' ' LEU . 3.0 tpt180 -78.2 -45.36 23.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 62' ' ' VAL . 25.1 t -34.62 -63.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 12.2 pt20 -59.6 -52.83 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 7.5 mm-40 -41.79 -58.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.0 mt -51.3 -50.02 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.692 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.59 -12.67 61.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.899 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 27.9 mt-30 -94.39 -3.68 49.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -115.31 -37.89 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 30.0 m-85 -111.65 -46.32 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.692 HD12 ' HB2' ' A' ' 70' ' ' TRP . 19.8 mt -89.76 21.63 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -118.07 142.83 31.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 111.102 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 153.37 68.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.33 13.23 9.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.874 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -78.9 157.5 76.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.9 Cg_endo -69.72 -42.21 3.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.5 p -108.0 17.94 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.874 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -49.76 109.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.6 pt -83.41 -179.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -128.59 139.78 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.5 mt -134.68 175.97 9.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -73.7 164.38 26.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -65.15 -42.36 93.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -71.37 -42.88 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -65.86 -58.28 5.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -45.4 -47.64 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.96 -52.02 53.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -53.55 -49.47 67.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.603 HG21 HD13 ' A' ' 74' ' ' LEU . 72.6 m -58.1 -65.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.1 m -37.83 -56.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -59.9 -46.42 89.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.558 ' CG ' HG23 ' A' ' 103' ' ' THR . 7.4 t-20 -56.52 -40.41 74.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 92' ' ' THR . 65.7 t -44.4 -44.56 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 96' ' ' VAL . 2.6 mptm? -33.45 -49.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -112.23 114.13 51.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.92 13.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.54 -141.62 3.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -117.43 -35.16 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -109.05 17.96 21.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.558 HG23 ' CG ' ' A' ' 95' ' ' ASN . 52.9 m -56.07 -37.02 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -99.95 17.25 21.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.36 -53.62 42.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -51.47 -65.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.61 -51.33 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.452 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 15.7 tt0 -49.86 -39.0 37.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.413 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 25.3 tt0 -73.94 -44.18 55.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -53.75 -47.54 70.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 44' ' ' ASN . 48.0 mm -67.14 -49.12 75.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 69.2 t80 -44.78 -62.21 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 18.1 mtmt -48.52 -36.49 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.0 tp -66.44 -65.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 116' ' ' LYS . 69.4 mtm -43.98 -41.02 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 120' ' ' TYR . 25.3 mtpt -33.63 -67.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 17.3 t -114.25 18.01 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 28.9 t70 -97.97 -68.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.547 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 3.0 p -92.76 -48.48 6.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.656 ' CZ ' HD11 ' A' ' 124' ' ' ILE . 3.4 t80 -36.18 -49.62 1.68 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.547 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.5 Cg_exo -48.06 -56.4 3.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 125' ' ' ARG . 22.6 mmm-85 -55.12 -52.55 62.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.581 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 42.6 t80 -36.2 -53.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.656 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 82.1 mt -61.6 -41.24 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 122' ' ' ARG . 19.3 mmm180 -58.27 -49.58 76.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 m -60.59 175.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 128' ' ' ALA . 21.8 m -94.37 -29.81 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.69 -40.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -73.26 -48.87 31.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -57.92 -34.87 70.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -38.75 -64.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.808 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.3 mm? -48.0 -52.87 18.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.869 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.762 0.315 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.414 ' CD ' ' H ' ' A' ' 10' ' ' GLN . 2.5 mp0 -50.94 -36.44 38.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -72.38 -40.41 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.583 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 82.7 t -57.83 -60.46 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . 20.8 tptm -40.91 -43.31 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -45.58 -41.61 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.583 ' CZ3' HG22 ' A' ' 12' ' ' VAL . 3.7 m0 -65.97 -29.25 69.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -77.9 33.27 1.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -117.94 -34.06 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.94 148.37 5.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.4 ttp -38.3 -50.32 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -40.27 -51.97 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.23 -59.39 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.85 -42.87 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.583 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 18.0 mt -65.62 -47.15 76.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -44.92 -51.59 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.93 142.1 72.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.652 0.739 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.254 . . . . 0.0 112.305 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.1 t -65.75 -39.76 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.87 -25.65 67.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.404 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 11.8 mtm180 -68.57 -48.25 64.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 9.1 pt-20 -71.9 -44.19 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 46.7 mm-40 -52.7 -59.89 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -53.77 -36.58 62.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.52 -54.65 36.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -39.57 -54.32 2.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 123' ' ' PHE . 55.0 t80 -51.29 -44.52 61.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 119' ' ' SER . 60.6 mt -55.69 -55.58 30.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -38.66 -46.66 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -54.28 -55.76 25.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.614 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.2 pt-20 -81.28 15.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.614 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 50.55 40.3 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.4 m -117.8 17.29 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.1 p -68.5 -42.65 78.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' ASN . 56.1 mt-10 -40.83 -58.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' GLU . 28.1 m-20 -35.92 -58.63 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 46' ' ' ARG . 44.1 tp -69.63 -56.84 6.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 45' ' ' LEU . 16.8 mtp85 -36.85 -44.81 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.492 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 4.5 t80 -65.34 -56.85 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.583 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 10.5 t90 -43.33 -54.59 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.4 mt -53.94 -46.34 71.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.11 -45.23 32.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.46 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 87.4 t -64.67 -50.65 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -44.26 -40.48 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -82.22 -39.59 22.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 69' ' ' ILE . 48.3 tp -36.63 -65.14 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -51.66 -40.25 59.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -61.52 -39.14 89.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 30.0 mmt180 -53.08 148.24 15.13 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.84 160.13 50.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 tp -51.19 -31.82 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -67.57 -30.09 69.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -115.46 10.61 15.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.516 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.12 -58.33 3.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.652 0.739 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.76 -51.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 m -45.27 -34.22 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.5 tpt180 -80.71 -40.56 25.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 62' ' ' VAL . 38.1 t -36.3 -67.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 19.4 pt20 -57.02 -47.06 81.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLN . 61.9 mm-40 -48.88 -68.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.441 ' CD1' HD13 ' A' ' 54' ' ' LEU . 18.2 mt -43.09 -38.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.61 ' CH2' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -75.35 -31.27 60.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.945 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 41.1 mt-30 -82.18 -2.73 53.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 23.4 tt0 -95.89 -52.96 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.687 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -111.79 -38.19 4.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 104' ' ' PHE . 49.8 mt -82.89 17.99 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.945 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -114.75 144.77 32.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 111.088 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.07 38.91 3.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.643 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -108.28 158.02 34.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.2 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.383 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.63 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 5.6 m -92.78 17.98 9.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 73' ' ' PHE . . . -47.39 109.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.687 HG23 ' HB3' ' A' ' 73' ' ' PHE . 6.9 pt -91.06 -177.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -126.1 118.35 25.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.3 mt -113.34 159.31 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.16 176.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.0 p -76.04 -38.23 57.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -74.88 -56.04 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 t -53.63 -52.89 58.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.05 -47.13 84.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -57.33 -51.62 68.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -60.94 -45.45 94.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' THR . 91.9 m -62.77 -63.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.61 HG23 ' CH2' ' A' ' 70' ' ' TRP . 58.8 m -34.68 -54.98 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -60.89 -55.26 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -46.95 -44.44 20.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.655 HG22 ' CE1' ' A' ' 104' ' ' PHE . 92.1 t -42.19 -43.13 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' VAL . 22.0 mmtt -35.31 -42.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -104.38 114.74 63.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 129.72 18.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.23 -147.68 4.65 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -115.4 -37.32 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -109.44 17.42 21.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.7 m -53.91 -42.33 68.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.655 ' CE1' HG22 ' A' ' 96' ' ' VAL . 87.3 m-85 -95.53 17.91 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -51.61 -57.32 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.03 -64.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.02 -42.6 60.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.46 ' NE2' ' HB ' ' A' ' 51' ' ' VAL . 6.3 tp60 -56.61 -42.61 79.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.414 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 14.5 tt0 -68.62 -42.84 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -51.88 -60.17 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 46.2 mm -55.13 -44.33 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 5.4 t80 -52.99 -57.85 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.428 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 7.5 mtmp? -55.91 -16.29 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.511 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 2.2 tp -92.72 -68.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.418 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 61.2 mtm -41.94 -39.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 117' ' ' SER . 7.0 ptmm? -48.64 -50.14 34.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.525 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 2.8 m -117.34 17.6 14.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.511 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -102.65 -60.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.574 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 18.0 m -96.87 -54.17 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.554 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -33.99 -50.07 0.86 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.574 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.5 Cg_exo -47.97 -63.44 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.353 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 125' ' ' ARG . 26.6 mtt180 -55.12 -50.22 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.476 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 29.7 t80 -38.94 -41.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 42.1 mm -70.48 -37.47 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 122' ' ' ARG . 11.1 mmt180 -57.12 -54.59 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 t -53.43 163.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' GLN . 3.5 m -83.11 -36.34 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -35.86 -47.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.24 -44.62 91.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' SER . 41.5 mm-40 -60.58 -41.67 95.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.17 -56.16 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 20.1 mt -51.91 -50.51 60.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -62.59 -46.05 90.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t -81.25 157.35 25.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.4 -147.89 4.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 m -151.86 169.08 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -75.97 135.01 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.87 79.48 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 12' ' ' VAL . 30.3 m -97.23 -43.97 7.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -50.61 -49.4 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.63 -42.49 96.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -61.67 -47.95 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.819 HG21 ' HB3' ' A' ' 132' ' ' LEU . 91.2 t -48.72 -55.71 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' GLY . 22.3 tptt -36.48 -46.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 mmt-85 -43.09 -46.9 5.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.763 ' CE3' HG13 ' A' ' 12' ' ' VAL . 1.7 m0 -62.35 -29.8 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -71.04 4.33 10.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -97.22 -41.23 8.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 175.42 143.9 4.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' GLY . 38.2 ttp -35.11 -45.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' MET . 19.9 m-20 -36.02 -63.76 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.54 -51.72 68.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.09 -39.24 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD22 ' HZ3' ' A' ' 48' ' ' TRP . 13.0 mt -68.67 -49.77 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -60.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -73.15 144.96 85.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.64 -39.72 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.68 -31.03 79.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 42.6 mtt180 -66.55 -48.89 68.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 15.2 pt-20 -72.12 -44.68 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 81.5 mm-40 -52.58 -59.86 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.502 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 17.0 t80 -54.97 -37.85 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 36' ' ' LEU . 1.4 tp -61.86 -53.92 49.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' LEU . 52.9 mttt -35.13 -59.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -49.98 -42.03 48.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 33' ' ' LEU . 57.8 mt -55.16 -62.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -39.04 -46.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.9 t -54.15 -48.34 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -85.11 12.64 7.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 52.13 39.58 26.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' SER . 51.1 m -114.15 -24.37 9.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.488 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 94.8 p -35.26 -42.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' SER . 7.1 pt-20 -33.79 -46.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.03 -55.38 31.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 46' ' ' ARG . 48.5 tp -64.64 -58.89 5.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' LEU . 16.5 mtp180 -35.54 -48.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 8.6 t80 -62.43 -49.51 75.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.575 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 7.5 t90 -49.13 -62.53 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.7 mt -49.19 -50.44 37.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.47 -39.88 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.69 -58.21 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -45.32 -41.27 8.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -79.95 -40.97 26.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 69' ' ' ILE . 66.8 tp -33.38 -63.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.16 -45.21 43.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 53' ' ' ASP . 7.2 mmpt? -51.44 -43.03 61.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mmp_? -52.36 150.45 8.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.67 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.77 166.84 26.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.228 . . . . 0.0 112.371 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 tp -56.24 -31.3 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -70.6 -32.94 70.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -108.27 9.91 27.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -75.84 -58.74 1.29 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.72 -51.36 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.4 m -44.99 -37.18 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.4 tpt180 -77.52 -45.03 26.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.555 HG21 ' CB ' ' A' ' 99' ' ' PRO . 27.2 t -33.25 -67.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 24.0 pt20 -56.71 -47.28 80.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.42 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 59.8 mm-40 -48.93 -62.25 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.528 ' CD1' HD13 ' A' ' 54' ' ' LEU . 46.7 mt -49.76 -40.57 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.571 ' CE3' HG21 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -73.34 -20.68 60.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.917 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.9 mt-30 -93.12 -1.81 56.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 4.7 tp10 -97.49 -47.64 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -117.98 -38.04 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 70' ' ' TRP . 35.6 mt -83.32 18.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.917 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -117.13 150.09 45.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.578 0.704 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -52.64 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.74 48.71 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.515 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -119.12 156.11 52.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.0 Cg_endo -69.8 -52.08 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.543 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 7.6 m -86.57 18.01 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.77 106.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.588 HG23 ' HB3' ' A' ' 73' ' ' PHE . 20.4 pt -89.55 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -132.23 131.0 41.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.443 HD21 HD11 ' A' ' 111' ' ' ILE . 9.7 mt -129.87 157.59 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.25 168.42 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.3 t -68.11 -57.67 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -53.36 -43.78 68.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.8 p -69.16 -59.04 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -48.87 -47.44 42.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.07 -50.74 66.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -56.18 -46.3 79.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.0 m -59.16 -62.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.1 m -40.64 -40.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -70.22 -44.52 68.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -60.65 -43.33 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.571 HG21 ' CE3' ' A' ' 70' ' ' TRP . 92.1 t -43.01 -44.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 96' ' ' VAL . 2.4 mptm? -32.26 -49.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -111.01 112.05 55.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.555 ' CB ' HG21 ' A' ' 66' ' ' VAL . 53.5 Cg_endo -69.73 134.29 27.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.16 -138.46 2.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -117.43 -35.75 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -110.84 17.91 20.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.963 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.9 m -56.67 -39.8 74.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -100.16 17.98 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -56.77 -45.72 81.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -52.93 -63.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.95 -48.07 32.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.575 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 9.0 tt0 -44.88 -38.14 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.509 ' HG3' ' CD ' ' A' ' 113' ' ' LYS . 14.5 tt0 -68.25 -57.34 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -47.51 -60.91 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.476 HG22 ' CE ' ' A' ' 115' ' ' MET . 42.8 mm -54.52 -54.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 2.0 t80 -49.01 -50.96 33.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.509 ' CD ' ' HG3' ' A' ' 109' ' ' GLU . 26.2 mtpt -61.3 -16.56 47.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 1.9 tp -92.91 -68.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.476 ' CE ' HG22 ' A' ' 111' ' ' ILE . 48.2 mtm -42.5 -39.08 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 117' ' ' SER . 5.1 ptmm? -47.73 -49.73 27.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.551 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 2.8 m -117.76 17.13 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.499 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -102.1 -61.47 1.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.576 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 14.7 m -97.04 -53.32 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.687 ' O ' HD12 ' A' ' 124' ' ' ILE . 2.8 t80 -34.56 -49.86 0.99 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.692 0.758 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.4 Cg_exo -47.94 -55.67 3.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 125' ' ' ARG . 94.8 mtt-85 -54.37 -47.16 72.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.502 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 4.1 t80 -40.27 -44.23 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.3 mp -68.75 -37.52 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 122' ' ' ARG . 15.7 mmm180 -64.33 -47.9 77.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t -64.94 176.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.1 t -96.65 -31.06 12.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -36.68 -44.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -47.62 68.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -56.56 -38.98 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -38.94 -59.83 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.819 ' HB3' HG21 ' A' ' 12' ' ' VAL . 2.0 mm? -48.37 -56.19 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.8 mt -43.56 -57.95 2.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.1 t -68.92 -66.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.51 95.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.467 ' HG3' HD13 ' A' ' 132' ' ' LEU . 53.4 Cg_endo -69.76 78.84 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.0 m -165.59 158.33 15.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.1 p -63.47 122.13 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.528 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 m 62.38 43.35 8.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -74.45 -47.21 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.54 -124.6 27.29 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 m -136.58 112.41 9.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -47.26 -53.31 13.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.05 111.07 0.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -85.44 -43.67 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -44.77 -48.08 10.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -67.13 -50.64 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -49.41 -46.06 47.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.523 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 73.0 t -48.79 -60.76 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB2' HD21 ' A' ' 133' ' ' LEU . 18.1 ttpt -45.98 -34.86 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -46.86 -34.8 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.523 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 4.5 m0 -69.73 -28.49 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.65 28.33 1.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' A' ' 15' ' ' TRP . 14.9 m-85 -116.59 16.3 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 117.11 138.38 6.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.53 ' HG2' HD11 ' A' ' 23' ' ' LEU . 18.5 ttp -34.2 -47.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' MET . 7.8 p-10 -37.29 -53.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 80.9 mm-40 -65.78 -63.04 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.24 -51.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.702 HD13 ' CH2' ' A' ' 48' ' ' TRP . 36.2 mt -54.74 -56.21 21.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 21.7 mttm -38.11 -58.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.94 143.96 87.24 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.274 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.77 -50.2 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.86 -29.52 42.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.515 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' NE ' HD21 ' A' ' 49' ' ' LEU . 17.0 mtt180 -67.55 -49.68 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.7 pt-20 -71.64 -44.52 64.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 85.1 mm-40 -57.11 -59.58 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 24.2 t80 -52.95 -35.17 58.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.8 tp -64.42 -54.05 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . 60.7 mttt -34.52 -55.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -54.96 -50.54 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 40.9 mt -43.05 -54.61 4.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -43.65 -44.29 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.2 t -57.08 -47.28 81.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -84.87 10.61 11.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 52.65 39.49 28.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' SER . 78.1 p -113.67 -21.2 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.494 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 76.1 p -37.21 -46.28 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 44' ' ' ASN . 9.3 pt-20 -39.97 -45.5 1.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 11.5 m-20 -53.28 -48.51 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' ARG . 17.4 tp -72.91 -52.8 13.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' LEU . 25.7 mmt180 -36.52 -48.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 3.0 t80 -64.08 -49.39 72.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.702 ' CH2' HD13 ' A' ' 23' ' ' LEU . 50.1 t90 -47.45 -60.6 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.434 HD21 ' NE ' ' A' ' 29' ' ' ARG . 33.5 mt -53.65 -44.69 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 47' ' ' PHE . . . -46.41 -43.73 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.76 -47.53 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -50.66 -41.36 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' LYS . 7.1 m-20 -79.76 -40.78 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' ASP . 54.6 tp -35.67 -61.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.49 -41.3 40.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ASP . 7.4 mmpt? -60.43 -40.37 90.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 6.5 mmp_? -52.91 149.25 12.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.597 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.74 163.27 38.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.2 tp -55.85 -29.73 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -68.28 -31.4 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -113.85 11.62 17.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.0 t -74.73 -58.79 1.62 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.78 -52.72 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.2 m -43.31 -35.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' VAL . 17.0 mmt-85 -78.96 -39.4 34.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 63' ' ' PRO . 53.7 t -33.08 -68.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.5 pt20 -58.27 -48.55 80.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 54.2 mm-40 -44.18 -62.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.0 mt -48.43 -44.19 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.663 ' CH2' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -72.34 -20.55 61.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.966 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 35.1 mt-30 -92.09 -3.94 55.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.597 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 3.0 tp10 -96.44 -47.16 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.4 OUTLIER -118.0 -39.42 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 70' ' ' TRP . 16.9 mt -82.19 18.05 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.966 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -114.69 151.52 45.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.542 0.687 . . . . 0.0 111.106 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -53.15 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.56 50.82 2.65 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -118.17 156.56 50.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.7 -52.84 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.58 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 8.9 m -87.5 17.86 4.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -44.21 103.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.49 HG23 ' O ' ' A' ' 80' ' ' SER . 6.3 pt -91.71 -178.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -130.2 141.7 50.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 mt -133.26 175.48 9.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -76.52 166.75 22.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 p -67.88 -41.23 83.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -65.65 -41.11 92.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.1 p -75.74 -55.55 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -48.39 -54.24 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.82 -42.19 62.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -64.76 -57.96 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 96' ' ' VAL . 60.6 m -53.77 -61.54 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.663 HG23 ' CH2' ' A' ' 70' ' ' TRP . 6.0 m -39.26 -44.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -70.45 -49.85 44.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.428 ' HB3' HG23 ' A' ' 103' ' ' THR . 73.8 m-20 -52.87 -47.7 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 92' ' ' THR . 88.4 t -37.99 -43.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 96' ' ' VAL . 39.2 mmtt -36.28 -44.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -102.69 116.61 62.41 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.613 0.721 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.486 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.77 113.2 3.3 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.36 -165.26 10.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -97.91 -53.08 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -88.54 17.64 5.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 95' ' ' ASN . 94.1 m -54.36 -48.59 71.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -93.85 16.58 13.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -54.8 -49.35 71.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -60.4 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.78 -43.95 48.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.479 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 17.8 tt0 -52.28 -36.25 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.88 -43.4 62.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -54.5 -57.69 10.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.22 -41.66 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -54.29 -59.13 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 42.7 mtmt -54.4 -17.13 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.3 tp -91.57 -67.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.7 mtm -44.92 -37.94 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.537 ' HG3' ' N ' ' A' ' 117' ' ' SER . 10.2 ptmm? -51.39 -47.97 62.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.537 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 7.1 m -116.89 15.63 15.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' LEU . 0.9 OUTLIER -105.3 -60.2 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.606 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 2.7 m -95.54 -54.36 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.548 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 0.7 OUTLIER -35.83 -48.41 1.42 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.697 0.76 . . . . 0.0 110.936 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.606 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.0 Cg_exo -48.0 -62.12 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.366 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -58.06 -48.47 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 43.7 t80 -40.68 -43.03 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.58 -40.92 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -58.8 -49.65 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.5 t -54.44 168.55 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 1.9 t -90.88 -36.04 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -35.84 -40.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -70.72 -52.41 21.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 131' ' ' GLU . 29.9 mm-40 -53.54 -33.76 55.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 62.8 mm-40 -36.59 -65.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.613 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.0 OUTLIER -45.36 -51.47 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 13' ' ' LYS . 56.3 mt -54.96 -62.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 44.7 t -60.94 -66.28 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' A' ' 137' ' ' SER . . . 81.72 138.4 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 14.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 135' ' ' GLY . 3.7 m -42.25 -54.7 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.5 t -62.87 173.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -154.56 130.43 10.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 t -88.21 -53.7 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.14 64.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t -90.81 -43.32 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -55.83 127.8 31.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.67 -58.11 0.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.535 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.6 t -40.74 -41.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' CD ' ' O ' ' A' ' 133' ' ' LEU . 49.1 tt0 -38.42 -41.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.57 -44.77 70.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -62.52 -42.54 99.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.976 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 87.0 t -53.88 -39.25 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ARG . 29.2 tptt -55.95 -51.55 67.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LYS . 9.0 mmt-85 -37.23 -37.88 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.976 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 6.6 m0 -62.79 -51.32 67.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.21 -23.07 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' TRP . 94.1 m-85 -76.28 12.4 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.898 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 115.45 159.78 12.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.577 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 6.8 ttp -54.89 -37.69 66.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -36.72 -48.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.25 -52.08 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.15 -55.26 8.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.834 HD13 ' CH2' ' A' ' 48' ' ' TRP . 47.9 mt -49.12 -48.36 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -52.46 -45.92 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.445 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 2.8 t70 -83.46 142.71 43.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.8 Cg_endo -69.76 -46.55 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 0.0 112.392 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.14 -48.15 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.98 -28.3 60.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -69.1 -48.89 61.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 8.2 pt-20 -69.67 -42.66 73.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 94.3 mm-40 -55.73 -56.72 17.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CE2' HD21 ' A' ' 36' ' ' LEU . 26.1 t80 -55.1 -33.37 62.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.4 tp -67.13 -51.36 54.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 65.6 mttt -34.87 -60.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -54.74 -52.4 62.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 119' ' ' SER . 0.5 OUTLIER -45.12 -55.09 6.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -51.9 -34.99 43.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 t -64.25 -49.62 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -84.11 13.07 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 53.73 43.46 31.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 p -114.53 -18.76 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.9 p -39.86 -37.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 80' ' ' SER . 6.6 pt-20 -38.89 -40.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' C ' ' SD ' ' A' ' 115' ' ' MET . 3.3 m-20 -66.08 -53.08 42.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' N ' ' SD ' ' A' ' 115' ' ' MET . 52.4 tp -67.49 -60.41 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LEU . 49.7 mtt180 -34.93 -42.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 23.1 t80 -68.69 -47.88 65.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.834 ' CH2' HD13 ' A' ' 23' ' ' LEU . 40.5 t90 -48.35 -57.76 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.3 mt -57.54 -45.94 84.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.91 -44.62 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.6 t -71.3 -51.8 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -41.23 -42.93 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 56' ' ' LYS . 30.1 t70 -81.06 -39.57 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 62.2 tp -33.6 -59.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -42.76 58.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 53' ' ' ASP . 26.5 mmtt -60.27 -40.44 90.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -52.0 146.36 15.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.598 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 165.07 32.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.407 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 6.7 tp -54.03 -29.21 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -33.83 72.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -110.37 12.22 23.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -77.15 -59.63 0.87 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.624 0.726 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.494 ' N ' HG12 ' A' ' 62' ' ' VAL . 54.0 Cg_endo -69.79 -54.08 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 p -43.94 -35.19 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 2.9 tpt180 -76.74 -42.92 39.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.475 HG21 ' HA ' ' A' ' 99' ' ' PRO . 42.8 t -34.42 -62.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 19.9 pt20 -63.4 -50.19 70.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 31.9 mm-40 -40.08 -68.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -44.41 -47.5 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.612 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -69.23 -24.14 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.763 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 21.9 mt-30 -81.78 -8.56 59.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.627 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 26.9 tt0 -106.36 -51.03 3.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.566 ' C ' ' H ' ' A' ' 75' ' ' ALA . 10.0 m-85 -98.07 -65.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.514 ' CB ' ' CE3' ' A' ' 70' ' ' TRP . 26.7 mt -67.86 18.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.23 141.61 27.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.131 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.64 52.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.23 . . . . 0.0 112.374 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.88 14.97 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.691 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -81.66 158.43 68.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.7 -47.16 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.286 . . . . 0.0 112.342 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.2 m -100.31 17.97 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -48.82 117.64 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.776 HD12 HD11 ' A' ' 111' ' ' ILE . 15.0 pt -103.09 179.63 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -125.05 135.06 52.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.2 mt -122.51 176.11 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.62 164.58 26.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 m -62.52 -39.87 94.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.6 OUTLIER -76.83 -46.21 25.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.482 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 31.6 m -61.18 -58.72 7.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -51.67 -56.63 12.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -52.04 -53.86 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -56.48 -40.26 74.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' ASN . 99.4 m -66.02 -63.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' THR . 20.3 m -34.95 -44.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -72.01 -44.84 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.5 m-20 -58.46 -39.39 79.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.6 t -40.94 -55.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -34.86 -36.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.428 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 12.4 mt-10 -96.04 105.13 19.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.657 0.741 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.475 ' HA ' HG21 ' A' ' 66' ' ' VAL . 54.4 Cg_endo -69.76 116.65 4.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.0 -151.32 5.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -114.28 -36.13 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -106.07 18.03 22.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.3 m -56.06 -42.08 76.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.511 ' CE1' HD12 ' A' ' 74' ' ' LEU . 81.1 m-85 -97.74 17.4 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -50.05 -56.97 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -49.03 -59.15 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -50.84 -52.9 36.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.556 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 20.3 tt0 -48.89 -38.64 23.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -73.92 -42.8 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -58.11 -44.77 87.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.776 HD11 HD12 ' A' ' 82' ' ' ILE . 48.2 mm -66.84 -44.79 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.0 t80 -53.63 -52.03 61.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.475 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 44.4 mtmt -61.99 -14.2 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 118' ' ' ASP . 0.6 OUTLIER -92.27 -68.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.521 ' CE ' HG22 ' A' ' 111' ' ' ILE . 44.8 mtm -47.86 -34.28 8.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.475 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -53.85 -46.09 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.5 t -111.59 14.77 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.469 ' HB2' ' HA ' ' A' ' 115' ' ' MET . 0.4 OUTLIER -107.04 -62.83 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.702 ' HB3' HD11 ' A' ' 36' ' ' LEU . 23.8 m -92.05 -52.12 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.1 t80 -37.58 -49.88 2.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.698 0.761 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 120' ' ' TYR . 63.8 Cg_exo -47.93 -65.47 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.64 2.227 . . . . 0.0 112.372 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' ARG . 60.9 mtm-85 -62.45 -51.94 65.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -37.9 -40.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.3 mt -70.51 -40.83 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 122' ' ' ARG . 10.3 mmt85 -58.34 -45.37 88.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 m -64.12 148.89 48.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 130' ' ' GLN . 75.6 m -60.0 -32.6 71.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.73 -38.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -76.01 -45.08 36.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 131' ' ' GLU . 48.3 mm-40 -60.5 -38.82 85.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 130' ' ' GLN . 14.5 mt-10 -35.69 -54.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.657 ' HB3' HG21 ' A' ' 12' ' ' VAL . 1.1 mm? -60.35 -51.21 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.454 ' O ' ' CD ' ' A' ' 9' ' ' GLN . 26.7 mt -54.61 -60.24 3.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.7 t -59.01 -56.73 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -140.53 91.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 94.1 p -142.1 106.05 4.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 68.1 p -90.0 -44.19 10.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -150.79 121.33 7.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 t -109.45 156.0 20.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.09 -61.34 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -106.14 167.91 9.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -121.63 171.34 8.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.47 -50.58 0.51 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 12' ' ' VAL . 50.2 m -57.5 -44.89 85.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.826 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -48.23 -48.46 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -63.34 -43.87 96.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -59.15 -38.56 79.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.737 HG22 ' CH2' ' A' ' 15' ' ' TRP . 99.5 t -62.52 -55.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HB2' HD21 ' A' ' 133' ' ' LEU . 17.4 tptm -43.75 -44.42 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 6.4 mmm180 -47.04 -43.42 19.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.737 ' CH2' HG22 ' A' ' 12' ' ' VAL . 11.3 m0 -54.36 -29.57 48.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.86 25.56 2.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.457 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 14.3 m-85 -117.72 16.27 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 118.8 143.45 7.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 20' ' ' ASP . 7.3 ttp -37.84 -43.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' MET . 25.1 m-20 -33.85 -59.18 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' ALA . 75.3 mm-40 -63.02 -60.77 2.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -35.29 -39.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.467 HD13 ' CH2' ' A' ' 48' ' ' TRP . 12.2 mt -76.28 -47.47 23.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.4 mttm -38.39 -63.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.47 147.85 90.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.724 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.325 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.38 -37.97 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.51 -28.14 71.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -68.35 -48.4 64.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.9 pt-20 -71.97 -45.61 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 54.3 mm-40 -53.77 -58.96 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 9.5 t80 -55.23 -34.81 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' A' ' 36' ' ' LEU . 3.3 tp -63.3 -54.2 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LEU . 63.5 mttt -37.05 -56.4 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -52.44 -50.16 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 33' ' ' LEU . 52.5 mt -46.99 -58.13 4.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -42.23 -48.92 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -54.66 -44.01 72.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.56 13.56 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 52.35 39.2 26.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.8 m -112.22 -20.49 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -39.29 -44.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' HG22 ' A' ' 82' ' ' ILE . 8.8 pt-20 -39.15 -44.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -57.4 -56.17 25.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' TRP . 41.8 tp -60.65 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 45' ' ' LEU . 22.3 mtp85 -34.77 -49.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 30.1 t80 -63.25 -41.91 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' ' 45' ' ' LEU . 31.9 t90 -59.82 -56.15 25.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -58.78 -45.22 90.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.97 -42.41 17.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.455 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 92.9 t -66.1 -47.31 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.481 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 24.9 mm-40 -54.41 -49.51 69.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -71.72 -40.3 69.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -38.54 -43.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -60.93 -50.31 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -54.32 -39.42 67.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -52.16 145.9 17.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 160.31 50.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 tp -52.84 -30.26 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -67.05 -29.17 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -113.58 12.7 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -73.03 -58.54 2.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.72 -51.28 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 m -43.18 -36.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' VAL . 3.8 tpt180 -80.03 -47.44 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 62' ' ' VAL . 36.0 t -33.64 -64.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 5.8 pt20 -60.1 -47.93 83.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.431 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 54.9 mm-40 -46.36 -64.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.4 mt -46.22 -47.36 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.664 ' CH2' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -70.57 -22.63 62.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.772 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 25.3 mt-30 -84.28 -7.27 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 4.0 tp10 -108.75 -49.61 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' C ' ' H ' ' A' ' 75' ' ' ALA . 13.3 m-85 -98.09 -66.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.535 HD13 HG21 ' A' ' 92' ' ' THR . 30.8 mt -69.04 18.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.772 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.53 139.84 25.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 161.3 46.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.324 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.32 15.37 1.12 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -84.94 158.43 58.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.711 . . . . 0.0 111.08 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.4 Cg_endo -69.79 -47.74 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.252 . . . . 0.0 112.275 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -98.14 17.96 17.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.663 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -51.26 122.67 8.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.068 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.748 HD12 HD11 ' A' ' 111' ' ' ILE . 14.4 pt -108.13 179.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -126.28 136.65 53.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.5 mt -126.73 177.7 6.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -75.36 151.11 38.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.2 p -47.94 -36.85 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -72.71 -66.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -46.94 -53.62 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -52.93 -63.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -45.92 -52.98 10.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -56.18 -60.26 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.535 HG21 HD13 ' A' ' 74' ' ' LEU . 93.4 m -48.11 -63.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.664 HG23 ' CH2' ' A' ' 70' ' ' TRP . 24.2 m -34.7 -43.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -74.07 -43.97 55.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 92' ' ' THR . 2.5 m-20 -59.33 -40.31 85.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.568 HG21 ' CE3' ' A' ' 70' ' ' TRP . 84.8 t -39.76 -58.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -33.85 -37.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 96' ' ' VAL . 11.1 mt-10 -94.24 106.37 22.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.8 Cg_endo -69.72 114.38 3.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.97 -165.72 13.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -97.41 -50.0 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -88.22 17.78 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.8 m -53.22 -55.09 27.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -92.19 17.58 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -43.78 -43.62 6.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -65.56 -63.74 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.96 -46.6 16.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.481 ' NE2' ' HG2' ' A' ' 52' ' ' GLU . 50.4 tt0 -50.83 -41.33 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 17.6 tt0 -72.57 -47.21 49.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -48.12 -55.71 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.748 HD11 HD12 ' A' ' 82' ' ' ILE . 46.0 mm -59.15 -41.13 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 4.7 t80 -55.25 -54.82 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.467 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 21.9 mtmt -56.95 -16.27 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.594 HD12 ' OD1' ' A' ' 118' ' ' ASP . 0.9 OUTLIER -91.62 -72.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 32.8 mtm -45.02 -39.0 5.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -45.18 -47.63 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.506 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 3.0 m -117.61 16.83 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.594 ' OD1' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -104.89 -61.76 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.531 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 35.5 m -92.59 -54.08 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.532 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 3.1 t80 -34.07 -51.31 0.91 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.704 0.764 . . . . 0.0 110.952 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 65.1 Cg_exo -47.94 -56.54 3.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -52.23 -42.07 63.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -44.06 -41.52 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.515 HD11 ' CE1' ' A' ' 120' ' ' TYR . 4.7 mp -70.1 -36.23 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -68.27 -46.41 70.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 63.5 p -63.48 176.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 41.1 m -98.87 -32.31 11.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.82 -46.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.85 -46.87 80.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -59.62 -40.22 86.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -39.39 -55.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.598 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.5 mm? -53.74 -50.65 65.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 13' ' ' LYS . 10.0 mt -48.82 -55.85 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.6 t -55.94 -51.95 65.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -174.93 120.27 0.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.12 37.69 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 65.3 p -105.26 118.5 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.0 t -88.52 -47.29 8.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -40.1 -59.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -158.86 155.56 28.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.49 156.14 23.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 m -128.97 144.03 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 p -92.78 -48.49 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.87 117.53 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.2 t -100.92 -38.05 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -42.08 -42.69 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.57 -44.53 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' NE ' ' OD1' ' A' ' 25' ' ' ASP . 41.5 ttt180 -59.88 -41.02 90.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.632 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 74.6 t -56.2 -56.83 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 14' ' ' ARG . 23.3 tptm -40.34 -56.42 2.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' LYS . 3.3 mmt180 -35.26 -37.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.632 ' CZ3' HG22 ' A' ' 12' ' ' VAL . 10.8 m0 -65.76 -56.38 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -33.39 -43.97 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -44.55 -48.3 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.487 ' C ' ' CE2' ' A' ' 120' ' ' TYR . . . 172.09 164.5 27.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.569 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 22.1 ttp -47.93 -52.15 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 19' ' ' MET . 33.7 t0 -32.04 -59.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 16.1 mp0 -56.88 -62.09 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HB2' ' OH ' ' A' ' 120' ' ' TYR . . . -42.33 -51.47 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.598 HD13 ' CH2' ' A' ' 48' ' ' TRP . 87.3 mt -46.54 -55.91 6.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 6.3 mptp? -38.7 -53.2 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.487 ' OD1' ' NE ' ' A' ' 11' ' ' ARG . 18.6 t70 -80.25 142.21 54.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.637 0.732 . . . . 0.0 110.852 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.78 -46.83 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 98.4 t -62.81 -61.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -43.74 -28.59 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 18.0 mtm180 -68.49 -44.72 74.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 6.5 pt-20 -71.93 -38.07 69.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -56.43 -60.33 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CE1' HD21 ' A' ' 36' ' ' LEU . 7.3 t80 -53.1 -36.67 60.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.6 tp -62.62 -54.57 37.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 33.0 mttm -34.93 -59.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -48.8 -50.36 34.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 32' ' ' PHE . 44.3 mt -46.84 -58.69 3.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 42.6 mt-10 -35.73 -46.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.2 m -55.3 -53.49 55.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' CD ' ' HB2' ' A' ' 41' ' ' SER . 4.1 pt-20 -78.39 8.58 4.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 52.91 36.52 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.408 ' HB2' ' CD ' ' A' ' 39' ' ' GLU . 48.9 m -117.93 17.79 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.2 p -66.06 -33.34 75.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -42.15 -54.07 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -40.59 -59.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' TRP . 58.0 tp -68.56 -57.33 5.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LEU . 8.3 mtp180 -34.95 -42.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.534 ' CE1' ' CG2' ' A' ' 51' ' ' VAL . 2.6 t80 -70.84 -46.39 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.598 ' CH2' HD13 ' A' ' 23' ' ' LEU . 26.6 t90 -48.25 -61.15 2.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.6 -46.01 70.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.59 -43.16 46.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.534 ' CG2' ' CE1' ' A' ' 47' ' ' PHE . 72.8 t -65.98 -60.27 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' OE1' ' CZ3' ' A' ' 48' ' ' TRP . 6.6 mt-10 -36.5 -40.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 54' ' ' LEU . 40.5 m-20 -75.22 -41.24 58.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.48 HD13 HD12 ' A' ' 69' ' ' ILE . 68.9 tp -33.15 -65.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -47.96 62.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -51.49 -39.72 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -56.03 152.59 20.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.821 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.545 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.73 163.43 38.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.375 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.779 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -55.06 -30.87 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -70.81 -31.51 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -107.57 11.16 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -74.65 -58.83 1.65 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.79 -49.71 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 m -47.37 -37.1 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' VAL . 22.0 mmm-85 -80.34 -44.35 19.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 62' ' ' VAL . 11.9 t -33.32 -63.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 25.4 pt20 -58.79 -51.22 70.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 6.0 mm-40 -45.08 -65.77 0.49 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.48 HD12 HD13 ' A' ' 54' ' ' LEU . 31.1 mt -47.39 -43.97 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.698 ' CE3' HG21 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -70.79 -25.04 62.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.928 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 30.9 mt-30 -88.42 -2.83 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 17.4 tt0 -95.63 -47.66 6.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.61 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -118.02 -37.99 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.586 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 40.0 mt -82.88 18.04 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.928 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.58 149.08 43.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 111.085 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -52.35 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.367 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.05 39.73 3.11 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -109.7 154.45 42.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.609 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.5 m -87.33 18.02 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -44.89 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 73' ' ' PHE . 7.3 pt -84.96 -177.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -125.09 136.05 53.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.6 mt -126.1 171.26 10.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.86 144.47 43.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 76.9 p -45.27 -40.42 7.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -72.27 -60.87 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.7 m -50.26 -59.83 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -45.22 -50.04 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.31 -56.97 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -54.75 -58.85 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 96' ' ' VAL . 32.6 m -48.93 -59.48 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.418 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 33.8 m -36.89 -52.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -66.41 -54.84 19.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -44.57 -45.47 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.698 HG21 ' CE3' ' A' ' 70' ' ' TRP . 95.6 t -43.7 -46.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 96' ' ' VAL . 24.1 mmtm -34.5 -46.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.36 116.86 64.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.94 26.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.2 -159.11 9.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -106.28 -37.88 6.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -104.88 17.85 23.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.8 m -54.03 -47.7 71.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CE1' HG22 ' A' ' 96' ' ' VAL . 36.9 m-85 -97.1 17.84 16.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.32 -47.06 55.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.14 -59.9 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.34 -60.73 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.527 ' HA ' ' CE2' ' A' ' 47' ' ' PHE . 36.3 tt0 -43.87 -46.33 7.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' TYR . 33.6 tt0 -65.38 -53.8 38.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -39.18 -46.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.3 mm -63.97 -37.4 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.3 t80 -59.23 -56.26 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -58.93 -11.31 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.597 HD11 ' OD2' ' A' ' 118' ' ' ASP . 0.9 OUTLIER -93.09 -71.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.429 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 24.6 mtm -44.19 -39.42 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 117' ' ' SER . 5.0 ptmm? -44.71 -47.73 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.521 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.4 p -116.86 13.14 14.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.597 ' OD2' HD11 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -104.48 -64.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.519 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 38.7 m -94.19 -53.16 4.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.3 t80 -35.21 -50.86 1.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.713 0.768 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.519 ' HD2' ' C ' ' A' ' 119' ' ' SER . 63.9 Cg_exo -47.89 -54.16 5.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -56.05 -34.41 65.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.46 -49.09 68.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 124' ' ' ILE . 4.9 mp -61.72 -53.26 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -51.9 -46.38 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.6 p -60.02 153.71 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 128' ' ' ALA . 3.0 m -73.84 -41.85 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.82 -40.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -69.94 -54.71 12.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 131' ' ' GLU . 35.0 mm-40 -53.96 -46.06 71.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 9.2 mm-40 -35.88 -45.05 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 27.0 mt -66.54 -53.02 39.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.2 mt -50.31 -50.94 49.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.2 t -70.27 -55.78 8.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.82 92.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -42.86 3.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.357 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.6 m -60.18 142.06 54.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.1 t -116.68 17.99 15.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 m -114.72 118.02 32.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -42.8 -44.22 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.02 -165.35 33.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -127.85 162.81 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.366 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 m -135.29 142.68 45.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.828 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.3 84.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -90.59 -44.84 9.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -43.69 -46.25 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -67.22 -41.81 85.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.33 -42.54 66.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.498 HG11 ' HB2' ' A' ' 132' ' ' LEU . 93.5 t -58.41 -59.28 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -43.65 -43.06 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -41.54 -38.18 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 9.1 m0 -67.93 -46.73 70.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -36.15 -43.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.491 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -48.47 -53.72 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.503 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 179.89 171.32 42.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 20' ' ' ASP . 7.0 ttp -54.91 -43.16 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 19' ' ' MET . 1.1 m-20 -31.98 -46.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 23' ' ' LEU . 71.9 mm-40 -78.01 -65.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -36.43 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.635 HD13 ' CH2' ' A' ' 48' ' ' TRP . 80.6 mt -79.03 -54.63 5.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -44.97 -34.64 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.42 146.26 31.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.577 0.703 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.84 -47.84 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.11 -28.98 51.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -67.74 -50.98 54.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.755 0.312 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.3 pt-20 -71.3 -47.46 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.5 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 91.2 mm-40 -51.67 -59.69 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 36' ' ' LEU . 15.9 t80 -52.72 -38.24 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -63.07 -55.89 21.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HE3' ' NE2' ' A' ' 31' ' ' GLN . 7.9 mtmp? -34.32 -55.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 123' ' ' PHE . 50.8 t80 -52.64 -50.46 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 32' ' ' PHE . 25.5 mt -44.11 -53.94 5.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' LEU . 49.7 mt-10 -36.49 -46.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 3.7 m -56.86 -52.25 65.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -83.41 14.79 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 52.17 42.49 30.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' SER . 26.9 t -114.11 -16.5 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.5 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 85.9 p -34.56 -40.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' ASN . 6.1 pt-20 -57.03 -54.81 42.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.444 ' O ' HG21 ' A' ' 111' ' ' ILE . 11.3 m-20 -36.99 -43.44 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' ARG . 14.2 tp -84.24 -55.97 3.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' LEU . 23.1 mtp180 -36.99 -42.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 13.9 t80 -66.2 -46.94 75.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.635 ' CH2' HD13 ' A' ' 23' ' ' LEU . 43.0 t90 -51.48 -62.2 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -48.9 -48.22 42.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.66 -56.67 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 81.1 t -54.4 -49.02 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE2' ' CH2' ' A' ' 48' ' ' TRP . 20.5 mt-10 -47.4 -45.79 25.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 63.0 m-20 -74.8 -40.25 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.628 HD13 ' CD1' ' A' ' 69' ' ' ILE . 62.9 tp -32.73 -66.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 5.7 ptpt -50.61 -42.21 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 45.8 mmtt -57.87 -40.79 81.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 57' ' ' ARG . 4.6 mmp_? -53.18 154.61 5.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 157.76 59.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.503 HG23 ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -48.38 -45.53 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.503 ' N ' HG23 ' A' ' 59' ' ' ILE . 4.7 ptpt -59.06 -28.47 66.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -108.15 16.74 23.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.621 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -79.27 -60.13 0.56 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 0.0 111.177 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.498 ' N ' HG12 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.78 -51.63 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.0 m -43.89 -37.99 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 11.6 tpp180 -79.12 -43.94 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 62' ' ' VAL . 25.8 t -33.86 -66.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 8.2 pt20 -59.45 -48.3 82.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 47.0 mm-40 -46.66 -63.3 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.628 ' CD1' HD13 ' A' ' 54' ' ' LEU . 21.3 mt -49.07 -40.73 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.624 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -74.66 -17.47 60.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.985 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 24.6 mt-30 -93.06 -3.37 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 2.7 tp10 -99.27 -45.98 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -118.0 -37.98 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' A' ' 70' ' ' TRP . 16.7 mt -85.33 17.97 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.985 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -113.12 150.58 43.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.563 0.697 . . . . 0.0 111.118 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -53.58 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.27 46.53 2.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -115.34 155.24 47.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.54 0.686 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.1 Cg_endo -69.75 -53.02 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.512 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 12.9 m -84.52 18.03 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -47.13 109.78 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.45 HG23 ' HB3' ' A' ' 73' ' ' PHE . 6.6 pt -95.33 -177.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -130.1 126.72 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.473 HD23 HD11 ' A' ' 111' ' ' ILE . 46.9 mt -115.77 162.91 16.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -53.48 158.18 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -53.06 -55.67 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -69.24 -43.56 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.478 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 67.1 m -51.6 -53.36 39.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -57.51 -49.92 74.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -53.13 -44.54 67.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -66.2 -48.44 70.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 96' ' ' VAL . 35.3 m -58.46 -56.74 18.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.7 m -45.65 -44.3 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -69.16 -45.16 70.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -58.77 -45.42 89.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.657 HG22 ' CE1' ' A' ' 104' ' ' PHE . 91.9 t -42.76 -44.03 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' VAL . 27.9 mmtp -35.16 -46.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.02 116.23 63.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.614 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.7 Cg_endo -69.75 132.89 24.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.09 -155.86 7.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.438 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 43.3 mtt180 -109.83 -38.0 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -105.2 17.86 23.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.0 m -56.07 -50.79 70.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.657 ' CE1' HG22 ' A' ' 96' ' ' VAL . 76.6 m-85 -90.26 17.91 6.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -54.1 -44.87 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.21 -60.38 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.1 -52.13 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.58 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 11.3 tt0 -48.2 -40.18 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -67.58 -48.11 67.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -52.41 -64.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.473 HD11 HD23 ' A' ' 84' ' ' LEU . 48.5 mm -52.35 -38.39 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.444 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 68.2 t80 -56.37 -62.62 1.6 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 37.6 mtmt -54.85 -26.1 33.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.488 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 0.5 OUTLIER -69.37 -70.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 116' ' ' LYS . 59.2 mtm -40.82 -37.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 115' ' ' MET . 18.4 mtpp -34.09 -70.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.441 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 3.5 m -107.48 18.03 22.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.488 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -97.92 -68.89 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.536 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -94.32 -51.91 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.503 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 0.9 OUTLIER -32.9 -51.42 0.64 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.914 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.536 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.7 Cg_exo -47.91 -59.3 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 123' ' ' PHE . 35.6 mtt180 -58.27 -51.94 67.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.451 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 16.1 t80 -36.97 -49.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.0 mt -64.92 -47.75 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -46.01 -51.02 14.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.3 t -60.05 140.51 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' ALA . 57.8 m -57.93 -36.05 71.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.79 -40.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -73.15 -52.15 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 131' ' ' GLU . 45.0 mm-40 -53.99 -42.66 69.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.1 mt-10 -35.86 -55.03 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.498 ' HB2' HG11 ' A' ' 12' ' ' VAL . 13.2 mt -55.95 -55.28 34.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 mt -43.3 -60.16 1.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.9 t -53.66 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -178.02 121.84 0.79 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 170.54 16.28 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.374 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.4 t -48.27 -60.3 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.6 t -69.94 -60.74 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -42.52 -46.19 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 p -83.56 131.97 34.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.21 -99.22 0.11 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -86.79 -53.67 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -151.37 136.19 17.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.14 42.89 1.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.7 m -67.3 -44.41 79.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 110.84 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -44.07 -44.95 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.1 -47.76 84.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -59.18 -40.26 85.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.543 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 55.9 t -54.98 -60.22 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' HD21 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -42.57 -45.03 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 44.8 mtt180 -52.68 -50.11 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.543 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 14.2 m0 -45.6 -28.37 0.95 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.68 29.32 2.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 22.5 m-85 -117.86 -33.22 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 158.65 146.74 4.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.476 ' HG2' HD11 ' A' ' 23' ' ' LEU . 24.6 ttp -33.75 -47.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' MET . 11.4 t0 -32.34 -54.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 23' ' ' LEU . 73.8 mm-40 -68.8 -62.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -34.22 -32.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.613 HD13 ' CH2' ' A' ' 48' ' ' TRP . 27.6 mt -79.07 -55.27 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 20.0 pttt -45.55 -33.52 2.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 74.8 m-20 -89.44 142.64 29.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.575 0.703 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -51.35 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 31' ' ' GLN . 72.1 t -65.7 -48.97 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.7 -29.84 26.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -66.22 -49.69 66.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.3 pt-20 -72.78 -44.67 61.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HG2' HG12 ' A' ' 27' ' ' VAL . 71.2 mm-40 -54.62 -57.78 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 20.9 t80 -54.14 -38.28 65.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 tp -63.91 -53.68 46.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' LEU . 34.6 mttm -36.35 -45.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -61.36 -45.44 94.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 9.9 mp -53.19 -56.33 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -38.23 -39.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -63.77 -49.02 74.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -84.1 12.59 6.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 53.59 44.47 29.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' SER . 3.7 m -114.33 -17.31 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.486 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 86.1 p -35.11 -49.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' HG3' HG22 ' A' ' 82' ' ' ILE . 5.3 pt-20 -38.81 -47.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -50.71 -55.68 15.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' TRP . 26.3 tp -67.51 -57.38 6.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -37.43 -42.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.519 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 21.1 t80 -69.67 -43.23 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.613 ' CH2' HD13 ' A' ' 23' ' ' LEU . 25.4 t90 -53.37 -59.1 5.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.6 mt -54.52 -47.67 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.8 -46.03 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 59.1 t -62.61 -51.58 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -43.31 -47.94 6.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' LEU . 25.5 t0 -75.55 -43.92 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 69' ' ' ILE . 47.9 tp -34.84 -64.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 12.5 ptpt -53.65 -44.01 69.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -56.46 -39.29 72.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -52.31 144.43 22.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.543 0.687 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.72 168.44 21.51 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.1 tp -54.08 -31.41 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -68.49 -31.24 70.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -116.3 13.56 15.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -75.35 -58.79 1.41 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.613 0.72 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.8 -51.3 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 m -46.63 -36.56 7.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.1 tpt180 -78.4 -45.04 23.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 62' ' ' VAL . 39.2 t -36.0 -65.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -59.49 -47.72 84.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -45.64 -61.08 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.5 HD12 HD13 ' A' ' 54' ' ' LEU . 31.4 mt -51.19 -44.01 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -71.6 -15.96 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.899 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 28.6 mt-30 -94.41 -2.17 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.488 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 2.9 tp10 -104.43 -44.52 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.519 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 2.4 m-85 -113.91 -47.24 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 28.6 mt -79.44 18.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -119.55 140.09 28.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.094 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.27 47.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.71 -19.34 5.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.642 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -52.08 161.89 0.91 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.712 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.642 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.6 Cg_endo -69.74 -49.5 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 82' ' ' ILE . 49.5 m -97.7 18.04 16.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -45.95 105.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 80' ' ' SER . 7.1 pt -91.98 -178.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -130.03 125.4 35.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.4 mt -110.39 162.02 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' SER . 8.8 t0 -60.66 136.39 58.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' ASP . 5.1 t -34.75 -37.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.8 tppp? -76.17 -63.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -45.1 -43.32 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -59.45 -54.91 41.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -54.43 -47.41 72.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 13.8 tmtt? -60.16 -44.76 94.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 96' ' ' VAL . 90.2 m -65.62 -61.51 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.5 m -42.82 -42.16 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -69.98 -44.68 68.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.552 ' HB3' HG23 ' A' ' 103' ' ' THR . 1.0 OUTLIER -60.24 -46.82 88.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 92' ' ' THR . 96.4 t -37.69 -41.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' VAL . 31.7 mmtp -34.89 -43.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -109.64 115.02 56.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 127.96 15.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -147.88 -147.86 4.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 48.7 mtt180 -115.93 -36.56 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -110.09 18.02 20.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.552 HG23 ' HB3' ' A' ' 95' ' ' ASN . 89.2 m -53.62 -44.35 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -94.42 17.04 13.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 22.3 pt-20 -46.56 -47.75 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 105' ' ' GLU . 1.1 m-20 -60.65 -66.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.11 -47.86 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -55.7 -39.55 71.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 9.2 tt0 -71.42 -41.71 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.428 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 44.7 t60 -54.52 -54.05 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.42 HG22 ' CE ' ' A' ' 115' ' ' MET . 36.9 mm -61.09 -37.69 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 5.4 t80 -57.12 -55.95 28.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.428 ' CE ' ' HA ' ' A' ' 110' ' ' HIS . 23.4 mtmt -56.1 -15.17 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.641 HD11 ' OD1' ' A' ' 118' ' ' ASP . 2.6 tp -92.91 -70.79 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.42 ' CE ' HG22 ' A' ' 111' ' ' ILE . 39.4 mtm -42.51 -36.62 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.547 ' HG3' ' N ' ' A' ' 117' ' ' SER . 8.0 ptmm? -51.89 -48.91 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.547 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.0 OUTLIER -117.87 15.98 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.641 ' OD1' HD11 ' A' ' 114' ' ' LEU . 16.1 t70 -102.05 -62.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.586 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.1 t -95.17 -52.53 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.533 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -35.0 -49.22 1.08 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.751 . . . . 0.0 110.909 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.7 Cg_exo -48.02 -62.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.712 2.274 . . . . 0.0 112.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -57.52 -48.57 78.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -40.84 -43.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.31 -41.52 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -56.68 -46.92 80.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -65.43 152.59 43.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 130' ' ' GLN . 4.8 m -72.87 -32.18 65.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.27 -38.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.76 -45.65 42.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' SER . 48.5 mm-40 -59.91 -39.95 87.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.2 mm-40 -37.65 -60.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.665 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.2 mm? -47.35 -62.04 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 13' ' ' LYS . 12.3 mt -34.59 -63.22 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 135' ' ' GLY . 28.6 t -66.04 -64.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 134' ' ' SER . . . 37.59 -103.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 163.84 36.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.7 t -111.63 131.56 55.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 91.5 p -115.27 107.21 14.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -130.02 158.16 40.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -121.8 121.28 36.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.6 -68.56 3.51 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -162.38 177.89 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -107.31 147.03 30.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.36 132.74 35.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 12' ' ' VAL . 41.9 m -97.03 -45.01 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -48.49 -53.68 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -61.06 -45.56 94.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -55.16 -46.58 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 15' ' ' TRP . 71.7 t -50.45 -57.83 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -43.98 -42.13 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -48.37 -36.28 14.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -76.07 17.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 14' ' ' ARG . . . -96.2 23.01 36.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' CD ' ' A' ' 21' ' ' GLU . 31.3 m-85 -135.97 102.01 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.567 ' O ' ' CE1' ' A' ' 120' ' ' TYR . . . 59.22 -146.23 43.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.537 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 20.4 ttp -115.33 -35.02 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -33.47 -70.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.497 ' CD ' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.64 -32.13 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 19' ' ' MET . . . -66.43 -35.19 79.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD13 ' CH2' ' A' ' 48' ' ' TRP . 4.4 mt -81.38 -39.95 24.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -41.44 -65.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -76.1 150.1 82.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -51.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 87.4 t -53.17 -46.88 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.62 -31.38 74.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 33.8 mtm180 -67.19 -48.79 66.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.5 pt-20 -71.67 -44.21 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 11.6 mm100 -53.94 -59.74 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.642 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 16.9 t80 -53.59 -36.78 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -62.01 -57.14 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . 31.3 mttm -34.94 -53.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -56.46 -54.46 45.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 84.6 mt -39.88 -50.97 2.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -45.01 -40.89 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -60.78 -48.9 79.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.58 16.29 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 52.03 37.85 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 t -117.94 17.79 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.5 p -62.31 -37.52 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.6 -47.68 84.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.473 ' O ' HG21 ' A' ' 111' ' ' ILE . 13.6 m-20 -42.08 -52.56 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' ARG . 40.9 tp -78.47 -53.2 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' LEU . 24.8 mtp180 -35.6 -49.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.526 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 10.9 t80 -65.14 -47.62 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.528 ' CH2' HD13 ' A' ' 23' ' ' LEU . 64.8 t90 -50.46 -51.62 45.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.82 -44.85 96.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.49 -52.72 7.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.89 -47.19 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 55' ' ' LYS . 35.4 mt-10 -51.69 -55.4 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD1' ' HG2' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -56.7 -43.14 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 31.8 tp -39.41 -53.29 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.519 ' CG ' ' HB3' ' A' ' 101' ' ' ARG . 23.6 mtmt -55.31 -47.32 75.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -62.12 -38.95 90.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 16.5 mmt180 -52.16 142.06 28.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.551 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.72 161.97 43.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.9 tp -52.24 -33.46 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -68.18 -32.39 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -110.15 11.37 23.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.0 t -72.69 -58.26 2.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.624 0.726 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.78 -50.85 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.339 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.1 m -42.91 -38.83 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.3 tpt180 -76.05 -43.34 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 62' ' ' VAL . 42.2 t -37.71 -66.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.409 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 8.4 pt20 -55.65 -46.88 77.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.9 mm-40 -49.41 -61.81 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.9 mt -45.55 -45.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.669 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -74.16 -24.92 59.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.756 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 23.9 mt-30 -82.8 -6.57 59.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -111.14 -48.5 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 34.4 m-85 -98.01 -65.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.956 HD13 HG21 ' A' ' 92' ' ' THR . 33.6 mt -70.86 18.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.756 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -112.79 140.68 24.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.62 56.34 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.68 17.05 2.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -83.32 159.14 62.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.581 0.705 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.529 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.71 -49.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.423 ' OG ' ' CE1' ' A' ' 73' ' ' PHE . 52.8 p -100.52 18.92 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.888 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -51.98 134.6 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.9 pt -112.76 -179.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.43 125.73 39.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.5 mt -118.64 177.63 4.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.64 176.24 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.5 m -69.17 -49.75 53.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 88' ' ' SER . 20.7 pttp -67.72 -44.15 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 26.5 m -61.15 -61.86 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -48.16 -58.21 4.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -48.54 -56.01 9.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -47.22 -48.33 24.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.956 HG21 HD13 ' A' ' 74' ' ' LEU . 90.4 m -56.25 -65.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' THR . 18.7 m -37.46 -45.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 2.9 t-80 -68.56 -44.28 74.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -59.31 -45.51 91.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.8 t -39.87 -38.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 94' ' ' HIS . 15.5 mmtm -36.54 -44.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -108.68 115.14 58.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.697 0.761 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.96 31.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 2.282 . . . . 0.0 112.299 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.51 -148.09 5.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.519 ' HB3' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -117.83 -36.87 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.6 16.92 21.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.4 m -55.23 -49.75 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.544 ' CE1' HD12 ' A' ' 74' ' ' LEU . 63.3 m-85 -90.34 16.98 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -52.4 41.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -53.09 -65.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.09 -42.62 39.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -51.47 -39.08 56.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.488 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 17.7 tt0 -68.74 -54.61 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -43.45 -56.65 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.473 HG21 ' O ' ' A' ' 44' ' ' ASN . 46.6 mm -56.35 -44.3 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 4.1 t80 -55.9 -55.75 28.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.488 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 7.1 mtmp? -58.21 -11.52 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.634 HD12 ' OD1' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -96.19 -68.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.449 ' CE ' HG22 ' A' ' 111' ' ' ILE . 31.2 mtm -48.79 -29.36 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.529 ' HG3' ' N ' ' A' ' 117' ' ' SER . 10.3 ptmm? -54.85 -46.28 74.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.529 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 7.5 t -115.83 16.58 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.634 ' OD1' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -103.73 -61.77 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.533 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 49.9 m -97.26 -54.94 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.613 ' CE1' HD11 ' A' ' 124' ' ' ILE . 4.7 t80 -33.35 -51.27 0.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.692 0.758 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 64.6 Cg_exo -47.95 -62.91 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.623 2.216 . . . . 0.0 112.376 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 125' ' ' ARG . 31.2 mtt85 -56.67 -51.91 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 122' ' ' ARG . 28.7 t80 -35.38 -39.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 120' ' ' TYR . 59.7 mt -74.44 -41.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 122' ' ' ARG . 14.0 mmt180 -61.37 -46.27 90.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.7 m -58.34 175.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 130' ' ' GLN . 37.9 m -91.68 -35.21 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.66 -34.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HD2' ' CE2' ' A' ' 123' ' ' PHE . 7.8 t80 -85.41 -42.41 14.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 133' ' ' LEU . 55.5 mm-40 -62.32 -52.49 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 16.9 pt-20 -37.56 -39.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.503 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 46.7 mt -64.57 -46.33 83.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 130' ' ' GLN . 16.3 mt -55.05 -60.02 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.1 t -57.78 -51.08 71.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.99 99.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 90.23 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.7 p -99.04 127.13 44.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.3 p -86.25 139.9 30.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -53.05 -44.59 67.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -53.15 111.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.62 -50.87 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 m -87.88 -60.34 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.823 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -81.7 137.19 35.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.78 170.51 23.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.0 m -54.02 -42.97 69.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -41.46 -42.3 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -65.94 -50.67 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -53.8 -51.12 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' HG ' ' A' ' 133' ' ' LEU . 83.3 t -40.73 -55.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -47.11 -39.17 12.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -50.53 -32.38 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 2.7 m0 -76.04 10.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.36 3.94 54.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -125.38 102.55 7.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.53 ' O ' ' CZ ' ' A' ' 120' ' ' TYR . . . 56.94 164.48 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.551 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 41.0 ttp -75.49 -43.62 48.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.569 ' HA ' HD12 ' A' ' 23' ' ' LEU . 10.4 t70 -32.92 -43.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.47 -60.16 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.25 -46.52 17.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 20' ' ' ASP . 14.1 mt -56.98 -49.97 74.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -43.17 -59.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.17 145.75 88.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.258 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.422 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 88.9 t -63.04 -46.41 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.3 -26.9 45.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -69.23 -48.24 62.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 5.9 pt-20 -71.1 -43.49 67.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.428 ' OE1' HD21 ' A' ' 132' ' ' LEU . 34.1 mm-40 -52.47 -59.0 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.563 ' O ' HD13 ' A' ' 36' ' ' LEU . 44.1 t80 -54.19 -34.86 61.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.1 tp -66.05 -54.37 26.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' LEU . 29.7 mttm -35.02 -56.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -56.79 -53.57 56.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 32' ' ' PHE . 5.9 mp -40.76 -50.9 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -47.14 -38.59 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 m -68.52 -50.57 51.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -80.54 15.48 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 52.01 42.3 30.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.8 t -112.93 -12.43 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.475 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 41.4 p -40.74 -37.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.49 -40.8 92.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' SER . 7.9 m-20 -54.23 -55.92 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' ARG . 31.6 tp -71.57 -55.3 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' LEU . 24.1 mtp180 -37.46 -44.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.47 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 7.2 t80 -65.65 -47.08 76.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.545 ' CH2' HD13 ' A' ' 23' ' ' LEU . 25.9 t90 -52.72 -60.2 3.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.2 mt -53.03 -52.26 59.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.94 -42.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.1 -53.17 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -50.06 -52.01 37.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.9 t70 -64.06 -47.91 78.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 65' ' ' ARG . 33.1 tp -37.59 -52.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -52.01 -52.68 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -46.31 -43.75 16.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -52.39 145.29 20.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 164.81 33.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.297 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.415 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 7.2 tp -50.4 -38.59 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -60.51 -28.59 68.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -112.71 15.12 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.677 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -75.67 -58.9 1.3 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.77 -51.02 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.0 m -43.48 -39.23 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.533 ' HB3' HD13 ' A' ' 54' ' ' LEU . 28.6 mmm-85 -80.42 -45.15 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 62' ' ' VAL . 17.9 t -33.8 -64.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.0 pt20 -59.94 -51.1 71.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.1 mm-40 -44.9 -64.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.6 mt -50.56 -42.01 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.609 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.23 -19.49 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.933 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 30.4 mt-30 -92.4 -2.22 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.582 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 2.4 tp10 -97.89 -46.07 6.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 80' ' ' SER . 0.3 OUTLIER -117.93 -38.99 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 44.4 mt -83.42 18.03 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.933 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -117.07 149.22 43.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.71 . . . . 0.0 111.093 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.404 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.47 43.6 3.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.525 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -113.81 154.03 45.92 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.586 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 55.4 m -87.21 18.02 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 73' ' ' PHE . . . -45.2 108.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 73' ' ' PHE . 12.0 pt -91.89 -177.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -129.71 131.59 46.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.2 mt -123.21 171.33 9.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' SER . 27.9 t70 -78.38 141.39 38.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' ASP . 74.1 m -38.07 -43.61 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -63.08 -59.68 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 t -55.37 -58.79 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -46.7 -48.66 20.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.21 -63.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -48.94 -48.1 43.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.3 m -58.41 -65.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.3 m -38.18 -46.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -66.34 -43.96 84.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -60.49 -45.28 94.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.584 HG21 ' CE3' ' A' ' 70' ' ' TRP . 98.8 t -38.87 -42.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -37.95 -43.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.93 115.97 61.56 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.67 0.748 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.44 4.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.27 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.92 -166.12 10.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -97.61 -46.53 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -95.53 17.98 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.6 m -56.97 -44.32 82.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' A' ' 74' ' ' LEU . 77.8 m-85 -95.45 17.51 14.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.7 -58.86 5.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.24 -65.13 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.22 -51.98 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 65.9 tt0 -45.33 -38.49 5.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 22.1 tt0 -71.26 -44.01 66.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -54.16 -51.86 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.17 -41.91 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.2 t80 -56.07 -55.05 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.2 mtmp? -58.43 -12.47 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -94.46 -64.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.421 ' HE2' ' HB2' ' A' ' 115' ' ' MET . 33.9 mtm -49.21 -33.93 13.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.536 ' HG3' ' N ' ' A' ' 117' ' ' SER . 8.7 ptmm? -52.55 -49.88 64.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.536 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 26.1 t -117.51 14.91 14.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 114' ' ' LEU . 18.7 t70 -102.48 -59.93 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.552 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 41.2 m -96.75 -52.66 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.831 ' O ' HD12 ' A' ' 124' ' ' ILE . 1.7 t80 -34.53 -50.44 1.0 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.642 0.734 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.552 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.0 Cg_exo -47.94 -56.68 2.89 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -55.95 -45.04 78.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -42.87 -42.23 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.1 mp -70.27 -37.28 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -59.08 -57.28 13.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 t -61.1 172.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' GLN . 57.9 m -91.23 -31.21 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.88 -38.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -77.64 -41.85 36.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 127' ' ' SER . 34.4 mm-40 -63.69 -34.58 78.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 130' ' ' GLN . 4.1 mm-40 -35.66 -65.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.794 ' H ' HD22 ' A' ' 132' ' ' LEU . 0.6 OUTLIER -49.64 -49.79 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.484 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 4.9 mt -51.89 -59.04 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 t -53.64 -56.52 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' A' ' 137' ' ' SER . . . 62.15 101.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 137' ' ' SER . 54.2 Cg_endo -69.73 16.74 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 135' ' ' GLY . 34.2 p -33.46 -44.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 39.4 m -116.02 159.19 21.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -57.84 170.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -154.61 162.0 41.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.46 -146.93 10.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.443 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -61.53 142.31 57.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.899 0.38 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' GLY . 63.6 p -92.94 -42.58 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.3 64.06 0.41 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -113.06 -37.9 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -42.84 -42.55 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.24 -38.68 75.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -64.48 -41.43 96.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.778 HG21 ' HB3' ' A' ' 132' ' ' LEU . 97.2 t -58.92 -46.68 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -44.47 -45.14 9.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -48.57 -36.79 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.676 ' CE3' HG13 ' A' ' 12' ' ' VAL . 5.1 m0 -68.57 -26.51 65.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.23 26.81 2.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -117.98 -32.86 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 168.23 147.0 5.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.571 ' O ' ' N ' ' A' ' 22' ' ' ALA . 8.9 ptm -36.24 -58.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' MET . 26.8 t0 -32.18 -49.29 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -60.57 -42.39 96.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -70.44 -44.16 68.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.595 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 15.3 mt -53.9 -53.78 47.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -59.94 -32.74 71.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 4.1 t70 -86.89 137.81 33.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -51.17 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.757 2.304 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.6 t -63.59 -37.47 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.73 -33.41 80.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -65.8 -48.54 71.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 6.2 pt-20 -72.6 -46.05 56.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 87.7 mm-40 -55.26 -55.9 26.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.535 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 43.0 t80 -56.31 -28.65 59.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -72.19 -48.11 45.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -38.98 -60.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 126' ' ' SER . 18.9 t80 -54.7 -47.34 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.487 ' HB3' ' CA ' ' A' ' 42' ' ' SER . 0.6 OUTLIER -50.61 -58.15 6.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -44.63 -42.46 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 m -62.55 -50.37 71.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.42 11.75 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 52.72 40.12 29.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' SER . 96.6 p -111.58 -24.6 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.487 ' CA ' ' HB3' ' A' ' 36' ' ' LEU . 17.5 t -35.87 -45.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 42' ' ' SER . 22.0 mt-10 -33.65 -52.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.73 -55.97 21.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.27 -61.54 2.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -40.13 -47.21 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -60.55 -45.08 95.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.595 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 9.5 t90 -56.32 -58.16 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.6 mt -55.77 -42.78 75.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.9 -47.7 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.074 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.75 -47.32 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' OE2' ' NE2' ' A' ' 108' ' ' GLN . 0.1 OUTLIER -50.12 -48.82 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.1 m-20 -66.47 -44.93 81.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 58.2 tp -35.45 -53.93 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -52.98 -48.02 67.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -55.93 -42.93 76.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -52.96 140.92 40.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.43 53.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.855 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -48.09 -34.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -62.82 -32.48 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.79 14.29 18.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.526 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.73 -58.64 2.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.676 0.75 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.73 -51.57 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.9 m -43.19 -38.53 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.9 tpt180 -74.97 -45.57 41.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.469 HG21 ' HA ' ' A' ' 99' ' ' PRO . 46.1 t -33.86 -66.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -55.52 -45.82 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 71' ' ' GLN . 5.6 mm-40 -53.24 -62.05 1.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 54' ' ' LEU . 36.7 mt -47.54 -37.18 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.599 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -83.18 -16.35 46.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.956 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 8.9 mm-40 -92.31 -5.07 52.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.582 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.0 tp10 -95.6 -47.58 6.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.679 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -118.0 -38.36 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.599 HD12 ' HB2' ' A' ' 70' ' ' TRP . 17.8 mt -83.37 17.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.956 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.83 151.03 45.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 111.123 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -54.64 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.44 52.06 2.73 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -122.08 154.63 61.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.573 0.701 . . . . 0.0 111.057 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.57 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.628 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 1.6 m -86.81 18.0 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.59 110.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.679 HG23 ' HB3' ' A' ' 73' ' ' PHE . 8.6 pt -95.58 -177.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -131.32 127.81 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.508 HD21 HD11 ' A' ' 111' ' ' ILE . 24.6 mt -123.09 162.48 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.42 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 7.1 t0 -62.71 137.59 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -40.49 -37.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -69.72 -58.52 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 p -53.14 -59.5 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -45.41 -62.57 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -42.46 -52.53 4.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -58.44 -57.11 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 93' ' ' THR . 78.7 m -51.63 -61.72 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 92' ' ' THR . 22.2 m -34.68 -49.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -64.82 -48.94 72.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.499 ' ND2' ' OD2' ' A' ' 106' ' ' ASP . 89.9 m-20 -54.85 -44.59 74.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 98' ' ' GLU . 96.5 t -40.63 -56.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 96' ' ' VAL . 6.8 mptt -33.53 -36.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 96' ' ' VAL . 9.2 mt-10 -95.52 104.59 16.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.74 116.12 4.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.03 -150.03 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -113.44 -38.0 4.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -104.44 16.59 25.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.4 m -56.39 -41.52 76.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.455 ' HE1' HD12 ' A' ' 74' ' ' LEU . 91.4 m-85 -86.3 -9.5 56.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PHE . 29.3 tt0 -33.48 -42.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.499 ' OD2' ' ND2' ' A' ' 95' ' ' ASN . 2.5 m-20 -64.84 -61.53 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.22 47.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.551 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 35.8 tt0 -43.33 -38.47 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -67.46 -53.96 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 7.0 t60 -44.32 -49.37 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.508 HD11 HD21 ' A' ' 84' ' ' LEU . 45.9 mm -66.51 -43.93 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -51.49 -65.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.509 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 39.1 mtmt -45.79 -34.42 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' A' ' 118' ' ' ASP . 2.3 tp -69.94 -69.29 0.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 116' ' ' LYS . 72.0 mtm -41.53 -39.86 1.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.509 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 26.9 mtpt -35.72 -68.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.483 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 4.4 t -114.53 17.87 17.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.545 ' CG ' HD11 ' A' ' 114' ' ' LEU . 33.5 t70 -98.87 -65.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.599 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.4 p -90.01 -52.37 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.615 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 25.9 t80 -33.15 -49.69 0.65 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.698 0.761 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 65.9 Cg_exo -47.97 -59.37 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 49.3 mtt-85 -48.19 -50.96 27.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 44.1 t80 -37.54 -57.78 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.573 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 55.5 mt -56.29 -59.87 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.07 -42.37 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.465 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 5.5 t -66.29 147.24 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.5 t -68.03 -35.39 78.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -37.52 -41.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -68.75 -53.86 19.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 131' ' ' GLU . 31.3 mm-40 -53.93 -37.78 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 130' ' ' GLN . 6.4 mm-40 -35.17 -61.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.778 ' HB3' HG21 ' A' ' 12' ' ' VAL . 1.7 mm? -52.49 -61.54 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.7 mt -39.33 -63.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.5 t -55.12 -54.23 45.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -122.06 98.99 0.65 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.17 20.73 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.5 m -146.92 130.88 17.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.1 m -138.31 172.45 12.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -87.45 17.98 4.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m -86.6 -60.64 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.09 98.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -100.77 133.55 45.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 p -139.24 156.5 47.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.93 -95.26 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.9 m -50.26 -42.88 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -40.62 -41.68 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -60.45 -50.14 74.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 8.6 mpt_? -58.36 -48.25 81.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.674 HG11 ' HB2' ' A' ' 132' ' ' LEU . 57.5 t -50.36 -53.2 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -57.13 -48.45 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.2 mmt-85 -43.63 -46.28 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.53 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 2.0 m0 -57.1 -50.61 72.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.8 -24.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' TRP . 56.0 m-85 -76.9 13.91 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' TRP . . . 122.08 170.09 13.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.547 ' HG2' HD21 ' A' ' 23' ' ' LEU . 16.9 ttp -68.74 -42.32 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 19' ' ' MET . 5.6 m-20 -32.71 -45.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 63.5 mm-40 -69.56 -43.6 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -64.86 -31.91 73.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.922 HD13 ' CH2' ' A' ' 48' ' ' TRP . 45.4 mt -71.89 -55.98 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.1 ptmm? -54.33 -33.94 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -92.33 142.02 25.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.31 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.721 2.28 . . . . 0.0 112.339 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.09 -44.77 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.83 -28.72 68.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' CZ ' ' CD2' ' A' ' 49' ' ' LEU . 20.8 mtt180 -69.8 -49.85 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.308 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.3 pt-20 -70.36 -44.1 68.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 61.8 mm-40 -52.81 -61.35 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.601 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 14.5 t80 -54.39 -36.55 64.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.6 tp -63.25 -53.11 58.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' LEU . 67.2 mttt -35.99 -53.92 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 33.6 t80 -56.6 -45.15 81.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.601 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 42.1 mt -48.33 -57.33 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -42.19 -38.98 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -61.87 -50.04 73.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.613 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 4.8 pt-20 -85.76 12.08 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.613 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 51.21 40.94 27.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.446 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 22.9 m -117.96 16.16 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 m -68.39 -38.35 81.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' CA ' ' OE1' ' A' ' 43' ' ' GLU . 1.5 mm-40 -41.83 -49.16 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -47.51 -56.38 7.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 48' ' ' TRP . 25.1 tp -67.26 -54.45 20.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' LEU . 3.1 mmp_? -36.14 -51.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 7.1 t80 -61.75 -42.24 98.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.922 ' CH2' HD13 ' A' ' 23' ' ' LEU . 24.2 t90 -56.29 -61.85 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' CD2' ' CZ ' ' A' ' 29' ' ' ARG . 74.0 mt -51.12 -46.65 61.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.29 -55.98 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.88 -54.13 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -40.01 -44.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' LEU . 4.4 t70 -73.12 -41.79 63.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASP . 50.5 tp -37.35 -46.59 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -49.58 77.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -57.86 -39.36 77.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -51.97 151.92 6.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.474 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.83 163.4 38.48 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.025 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.99 -27.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -72.94 -30.76 64.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -105.66 9.81 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.524 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -74.78 -58.64 1.63 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.73 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.404 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -47.45 -34.86 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.8 mmm180 -78.97 -43.53 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.537 HG21 ' HA ' ' A' ' 99' ' ' PRO . 25.3 t -32.85 -64.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.6 pt20 -60.17 -47.73 84.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 23.3 mm-40 -45.97 -59.04 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.3 mt -51.5 -41.57 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.69 -17.96 61.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.94 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 36.1 mt-30 -94.54 -0.62 54.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.561 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 15.1 tt0 -101.39 -44.94 5.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.8 OUTLIER -117.6 -38.81 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.575 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 57.1 mt -85.0 17.99 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.94 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -119.82 142.71 33.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.052 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 137.73 36.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.67 -16.28 15.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -52.09 159.82 1.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.552 0.692 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.6 Cg_endo -69.77 -44.7 1.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.238 . . . . 0.0 112.304 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.603 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 11.9 m -101.18 18.08 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -45.79 103.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 80' ' ' SER . 8.1 pt -91.37 -177.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -126.39 139.92 52.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 69.9 mt -128.64 177.67 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' SER . 43.8 t0 -84.6 131.53 34.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' ASP . 25.2 m -36.4 -36.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -70.28 -64.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 m -54.36 -53.88 48.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -48.45 -51.74 25.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -48.37 -57.56 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -52.12 -49.06 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' THR . 25.5 m -56.95 -60.67 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' THR . 11.1 m -36.07 -55.28 0.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -65.31 -46.05 81.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -52.31 -44.05 64.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' LYS . 90.4 t -46.86 -42.04 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' VAL . 15.8 mmtp -35.18 -47.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -100.94 114.5 65.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.537 ' HA ' HG21 ' A' ' 66' ' ' VAL . 54.4 Cg_endo -69.71 118.65 5.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 0.0 112.375 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.48 -148.18 5.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -116.45 -37.12 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -109.9 18.04 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.2 m -51.72 -41.26 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -91.65 17.91 8.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -47.07 -50.52 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.28 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.42 ' NE2' ' CD1' ' A' ' 48' ' ' TRP . 8.4 tp60 -37.75 -43.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 112' ' ' TYR . 25.1 tt0 -68.27 -60.7 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 109' ' ' GLU . 43.5 t60 -36.51 -54.23 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.695 HG22 ' CE ' ' A' ' 115' ' ' MET . 48.7 mm -55.79 -42.72 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 7.1 t80 -55.53 -56.82 15.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.482 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -55.12 -14.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.639 HD11 ' OD2' ' A' ' 118' ' ' ASP . 2.3 tp -93.58 -70.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.695 ' CE ' HG22 ' A' ' 111' ' ' ILE . 51.3 mtm -44.31 -35.28 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.534 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.5 ptmt -51.2 -49.2 61.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.534 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.6 t -116.88 17.94 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.639 ' OD2' HD11 ' A' ' 114' ' ' LEU . 50.8 t0 -98.0 -67.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.572 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -95.66 -49.81 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.824 ' O ' HD12 ' A' ' 124' ' ' ILE . 1.4 t80 -34.64 -49.92 1.02 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.572 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.9 Cg_exo -47.95 -54.63 4.94 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.264 . . . . 0.0 112.3 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -59.89 -38.74 83.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -48.65 -44.75 37.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.824 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.3 mp -65.6 -53.36 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.22 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.9 t -63.03 148.86 46.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' ALA . 3.1 m -67.81 -37.82 82.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.09 -40.27 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.3 -59.54 2.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 131' ' ' GLU . 35.7 mm-40 -49.12 -44.14 42.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 130' ' ' GLN . 7.3 mt-10 -36.25 -43.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.674 ' HB2' HG11 ' A' ' 12' ' ' VAL . 12.7 mt -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 130' ' ' GLN . 22.7 mt -46.18 -60.44 2.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 43.7 t -59.63 -59.08 6.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 137' ' ' SER . . . 70.88 71.49 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 135' ' ' GLY . 80.0 p -132.44 175.99 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.0 m -78.45 -46.15 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 p -68.61 -55.32 11.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -104.23 175.91 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.34 93.18 1.56 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -116.33 -37.97 3.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.877 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 m -77.96 125.3 29.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.23 90.66 1.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.8 t -91.24 -41.04 11.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -43.09 -45.97 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -68.88 -40.33 79.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -42.64 86.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.549 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 90.7 t -59.54 -58.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -46.11 -46.12 16.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -42.26 -41.53 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 6.9 m0 -62.81 -41.35 99.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.3 -20.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' TRP . 39.5 m-85 -79.24 15.22 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.558 ' C ' ' CE2' ' A' ' 120' ' ' TYR . . . 109.75 166.98 19.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.58 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 27.7 ttp -59.97 -43.15 95.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 19' ' ' MET . 9.0 p-10 -32.22 -41.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' OE1' ' CD ' ' A' ' 24' ' ' LYS . 63.2 mm-40 -76.91 -66.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -36.04 -35.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD13 ' CH2' ' A' ' 48' ' ' TRP . 81.2 mt -66.73 -55.35 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -49.13 -36.7 19.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.479 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 19.0 t70 -85.59 141.12 36.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.656 0.741 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.75 -45.4 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 31' ' ' GLN . 98.2 t -69.67 -57.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.39 -29.18 2.49 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -67.24 -48.8 66.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.5 pt-20 -69.75 -43.69 71.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HG2' HG12 ' A' ' 27' ' ' VAL . 18.1 mm100 -53.54 -60.45 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CE1' HD11 ' A' ' 36' ' ' LEU . 20.4 t80 -50.8 -38.11 46.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -62.25 -54.2 44.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . 33.4 mttm -35.24 -61.85 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -47.02 -54.55 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD11 ' CE1' ' A' ' 32' ' ' PHE . 8.9 mp -47.4 -58.13 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -38.75 -35.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -71.26 -50.0 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 41' ' ' SER . 10.4 pt-20 -77.84 11.22 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 53.66 43.28 31.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.468 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 3.1 m -115.71 -21.4 9.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLU . 59.8 p -34.83 -44.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' SER . 1.3 mm-40 -35.07 -48.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -53.21 -57.73 9.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' ARG . 24.6 tp -65.51 -56.42 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LEU . 36.6 mtp180 -34.92 -43.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.571 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.8 t80 -69.38 -49.82 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 16.1 t90 -50.08 -63.11 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -47.52 -46.85 27.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.78 -43.37 37.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.42 -54.86 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 32.2 mm-40 -41.84 -42.03 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 54' ' ' LEU . 10.2 t0 -75.73 -43.61 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 69' ' ' ILE . 59.5 tp -34.4 -65.42 0.2 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -49.12 -48.89 44.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -52.36 -40.23 61.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -53.7 152.66 9.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.548 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.74 163.06 39.65 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.87 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -55.16 -29.05 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -71.95 -31.87 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -108.32 10.72 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -73.28 -58.61 2.36 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.3 Cg_endo -69.7 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.6 m -41.87 -36.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' VAL . 16.3 mmt-85 -82.08 -42.92 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 62' ' ' VAL . 23.3 t -32.74 -65.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 6.1 pt20 -61.52 -48.47 80.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 67.4 mm-40 -46.49 -63.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.475 ' CD1' HD13 ' A' ' 54' ' ' LEU . 25.3 mt -47.52 -44.01 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.519 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -71.79 -18.79 62.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.976 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 22.8 mt-30 -92.09 -2.12 56.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.549 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 11.0 tt0 -107.04 -39.5 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 4.4 m-85 -117.99 -42.14 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 70' ' ' TRP . 18.0 mt -86.55 17.78 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.976 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -111.66 149.84 41.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -54.37 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -91.6 53.88 3.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.443 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -122.62 156.16 61.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.542 0.687 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.7 Cg_endo -69.78 -52.76 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.603 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -87.06 18.0 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.13 109.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.9 pt -94.29 -176.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -130.57 130.94 44.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 111' ' ' ILE . 37.5 mt -123.7 165.23 17.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.82 165.06 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.9 p -67.22 -44.85 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 88' ' ' SER . 14.4 ptpt -72.36 -43.01 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 67.6 m -63.87 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -46.68 -47.96 20.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.66 -52.64 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -51.92 -48.81 64.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.6 m -61.04 -52.18 66.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.7 m -39.72 -47.45 2.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -67.46 -44.45 78.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.619 ' HB3' HG23 ' A' ' 103' ' ' THR . 89.8 m-20 -58.63 -41.27 85.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.485 HG21 ' CE3' ' A' ' 70' ' ' TRP . 88.5 t -47.55 -46.06 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -39.77 -43.24 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.85 116.17 62.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HA ' HG21 ' A' ' 66' ' ' VAL . 54.0 Cg_endo -69.77 140.77 43.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.616 2.211 . . . . 0.0 112.362 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.75 -151.05 6.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -114.3 -35.89 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' GLU . 5.4 m-85 -111.92 16.77 20.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.619 HG23 ' HB3' ' A' ' 95' ' ' ASN . 87.4 m -53.36 -38.12 63.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -98.89 17.63 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 5.4 tp10 -49.92 -51.95 37.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -60.98 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.91 -61.79 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.586 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 27.0 tt0 -44.81 -38.72 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -71.32 -47.0 59.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -52.32 -58.13 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.437 HD11 ' CD2' ' A' ' 84' ' ' LEU . 46.9 mm -59.51 -34.84 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -58.0 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 20.6 mtmt -50.03 -29.92 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.524 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -67.84 -74.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.467 ' O ' ' C ' ' A' ' 116' ' ' LYS . 65.8 mtm -37.97 -42.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 115' ' ' MET . 18.7 mtpp -32.98 -71.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 40.3 t -102.96 17.82 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.524 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -98.92 -66.07 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.559 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 20.4 m -93.38 -50.93 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.4 t80 -33.5 -50.7 0.76 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.668 0.747 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.559 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.5 Cg_exo -47.94 -53.96 5.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.378 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.504 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 42.8 mtt180 -61.44 -39.23 90.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -63.61 -40.62 97.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.95 -43.97 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.504 ' CG ' ' HA ' ' A' ' 122' ' ' ARG . 4.3 ppt_? -73.08 -30.15 63.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.484 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 83.8 p -66.53 128.32 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 128' ' ' ALA . 32.3 m -43.24 -41.44 3.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.36 -36.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 129' ' ' TYR . 4.0 t80 -81.91 -46.04 14.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -59.64 -52.75 64.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 17.5 pt-20 -43.09 -41.13 3.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.491 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 69.8 mt -62.08 -46.33 89.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.0 mt -50.93 -62.4 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.2 t -52.71 -53.45 47.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 111.18 117.89 3.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 144.02 52.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 60.5 p -158.35 161.14 37.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.6 p -42.15 -40.77 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -125.43 162.8 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.837 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -118.56 136.51 53.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.52 43.91 8.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 m -119.69 120.87 37.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -150.16 134.61 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.27 -40.42 6.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.54 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 t -44.61 -40.56 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.865 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -40.35 -41.73 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -68.38 -47.11 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -57.1 -54.6 44.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.5 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 67.1 t -42.28 -60.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HB2' HD21 ' A' ' 133' ' ' LEU . 45.9 tttt -49.08 -42.82 40.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' TRP . 8.8 tpt180 -53.97 -46.22 71.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 51.8 m0 -38.05 -35.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.3 -145.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 50.55 34.66 9.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.99 138.25 10.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 20' ' ' ASP . 45.4 ttp -39.94 -38.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 19' ' ' MET . 28.9 m-20 -32.68 -60.03 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' ALA . 15.8 mm-40 -56.88 -62.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -36.9 -42.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' CH2' ' A' ' 48' ' ' TRP . 39.5 mt -65.59 -55.01 19.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' LEU . 2.2 mptm? -37.05 -59.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.8 t70 -73.72 141.34 79.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.1 Cg_endo -69.82 -46.64 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.217 . . . . 0.0 112.378 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.24 -48.44 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.15 -28.09 40.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -68.59 -47.15 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.6 pt-20 -73.5 -43.53 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 48.3 mm-40 -56.4 -56.97 14.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 9.9 t80 -54.48 -35.2 62.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -65.56 -54.62 25.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 37.6 mttm -35.09 -58.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 126' ' ' SER . 53.2 t80 -50.55 -48.62 57.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 32' ' ' PHE . 6.4 mp -54.35 -53.05 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -40.93 -42.83 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -61.11 -50.56 72.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.75 15.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 52.78 38.9 27.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' SER . 34.6 m -108.51 -19.95 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 30.9 p -37.01 -47.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' SER . 37.7 mt-10 -33.93 -61.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -40.03 -58.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ARG . 45.9 tp -65.73 -60.93 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' LEU . 63.5 mtt180 -35.47 -45.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.46 -51.17 64.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.558 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 9.8 t90 -50.75 -57.87 7.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.3 mt -51.99 -50.78 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.74 -43.69 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.12 -44.82 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -55.69 -50.1 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 54' ' ' LEU . 41.7 t0 -69.46 -40.44 77.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 67.1 tp -33.98 -56.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -51.69 -48.72 63.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . 27.3 mmtp -54.85 -41.71 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.933 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -52.31 147.37 13.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.822 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 160.84 48.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.621 2.214 . . . . 0.0 112.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.48 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 7.2 tp -53.42 -34.86 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.13 -29.81 70.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -113.52 14.46 19.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -72.55 -58.45 2.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.707 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.4 Cg_endo -69.79 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -44.05 -37.81 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.5 tpt180 -78.51 -44.9 23.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 62' ' ' VAL . 39.5 t -37.19 -65.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -58.86 -46.05 88.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -47.12 -64.66 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.6 mt -46.05 -43.19 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.576 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -72.55 -24.69 61.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.779 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.1 mt-30 -83.09 -6.24 59.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 2.1 tp10 -108.09 -50.93 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 80' ' ' SER . 47.7 m-85 -98.01 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 92' ' ' THR . 31.1 mt -71.01 17.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.17 143.5 30.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 0.0 111.112 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . 53.5 Cg_endo -69.79 162.81 40.67 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.703 2.268 . . . . 0.0 112.385 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 42.87 21.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.671 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -84.55 155.38 62.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.553 0.692 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.408 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.83 -35.78 11.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.533 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 69.5 m -109.46 17.95 20.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -51.97 116.46 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.3 pt -95.1 -176.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -130.02 127.35 39.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.1 mt -126.67 174.1 8.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -63.87 169.33 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -64.57 -59.55 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -64.55 -44.53 90.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.1 m -56.07 -61.47 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -49.84 -53.67 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -54.42 -49.82 69.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -46.65 -57.99 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.584 HG21 HD13 ' A' ' 74' ' ' LEU . 96.0 m -52.7 -54.83 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.533 HG23 ' CH2' ' A' ' 70' ' ' TRP . 22.1 m -39.04 -39.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -74.09 -46.4 43.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.433 ' HB3' HG23 ' A' ' 103' ' ' THR . 23.9 m-20 -57.06 -44.01 82.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.438 HG21 ' CE3' ' A' ' 70' ' ' TRP . 89.5 t -39.69 -45.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 96' ' ' VAL . 28.5 mmtt -34.59 -45.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -100.39 116.7 64.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 120.02 6.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -150.23 -168.0 14.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -97.93 -48.61 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.25 17.88 11.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.433 HG23 ' HB3' ' A' ' 95' ' ' ASN . 81.9 m -54.85 -43.7 73.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.6 17.58 11.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -47.14 -48.38 23.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -52.24 -63.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.72 -54.77 9.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.558 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 10.7 tt0 -46.53 -40.6 12.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -66.53 -53.74 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -49.27 -57.43 6.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 48.2 mm -61.09 -45.05 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -47.58 -57.63 5.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.494 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 22.8 mtmt -56.65 -32.54 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.6 tp -68.84 -67.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 116' ' ' LYS . 73.6 mtm -41.58 -42.25 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.494 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 26.0 mtpt -33.62 -68.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 0.3 OUTLIER -113.49 17.98 17.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 31.7 t70 -98.23 -69.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.57 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 3.2 p -89.44 -51.21 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.731 ' CE1' HD11 ' A' ' 124' ' ' ILE . 2.2 t80 -33.73 -50.12 0.8 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.677 0.751 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.57 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.3 Cg_exo -47.99 -65.95 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -39.42 -51.05 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.581 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 13.0 t80 -39.24 -56.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.816 ' H ' HD12 ' A' ' 124' ' ' ILE . 4.7 mp -61.35 -38.12 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -58.38 -55.42 35.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.56 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 8.0 t -55.78 161.11 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 128' ' ' ALA . 4.8 m -81.78 -33.13 31.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.88 -42.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.414 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 14.8 t80 -67.87 -49.51 61.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -59.54 -44.7 93.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.75 -58.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.52 -46.8 73.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 13' ' ' LYS . 4.1 mt -50.89 -70.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.413 ' O ' ' OG ' ' A' ' 134' ' ' SER . 12.5 t 62.53 32.01 16.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 137' ' ' SER . . . -123.7 -75.67 0.3 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 20.53 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.383 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 135' ' ' GLY . 26.7 t -62.71 135.6 57.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 91.5 p -139.47 131.6 28.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -74.63 137.79 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -132.6 160.35 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.08 -41.52 22.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.4 p -82.48 17.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -60.57 147.07 42.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -85.03 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.509 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.9 m 63.47 31.99 14.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -92.58 -60.54 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -56.99 -41.94 79.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -52.21 -43.96 64.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.753 HG22 ' CH2' ' A' ' 15' ' ' TRP . 94.3 t -57.52 -46.57 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HB2' HD21 ' A' ' 133' ' ' LEU . 23.7 tptt -54.9 -39.8 69.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' CG ' ' OE1' ' A' ' 21' ' ' GLU . 9.4 tpt180 -49.32 -37.33 23.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.753 ' CH2' HG22 ' A' ' 12' ' ' VAL . 2.1 m0 -68.95 -25.89 64.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.49 11.3 4.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -103.35 -37.57 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.475 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 172.21 145.22 4.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' ASP . 42.4 ttp -37.75 -45.77 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' MET . 32.4 t0 -32.26 -57.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' LEU . 35.0 mm-40 -64.21 -64.0 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -34.75 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' GLU . 40.5 mt -76.6 -55.22 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 1.2 ptmm? -47.88 -37.98 15.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 19.9 m-20 -83.48 144.09 45.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.642 2.228 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.66 -52.7 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.28 -31.18 8.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -65.22 -49.83 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.8 pt-20 -72.49 -44.58 62.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 47.6 mm-40 -55.08 -57.74 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.548 ' O ' HD13 ' A' ' 36' ' ' LEU . 36.1 t80 -52.35 -36.67 54.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.5 tp -66.24 -53.22 39.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 50.8 mttt -34.62 -59.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 38' ' ' SER . 60.8 t80 -55.29 -52.84 62.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 32' ' ' PHE . 5.6 mp -41.34 -52.36 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -45.05 -38.65 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 25.5 m -66.65 -52.33 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 2.9 pt-20 -78.7 15.81 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 51.93 44.76 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' SER . 38.9 t -116.08 -17.04 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 66.1 p -35.38 -38.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' ASN . 34.8 mt-10 -55.04 -57.35 12.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.1 m-20 -36.63 -61.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.2 tp -64.96 -53.08 51.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -40.63 -42.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 51' ' ' VAL . 19.4 t80 -70.24 -42.12 72.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.577 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 28.7 t90 -61.17 -54.17 47.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.22 -50.13 67.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.07 -44.29 31.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 47' ' ' PHE . 84.8 t -63.24 -48.84 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 24.1 mm-40 -52.09 -41.73 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 54' ' ' LEU . 85.7 m-20 -77.83 -41.41 37.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' ASP . 54.1 tp -35.16 -62.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.86 -44.16 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -55.91 -40.08 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -52.83 152.44 7.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.729 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.585 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.72 160.03 51.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.357 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 tp -52.79 -28.62 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -31.35 62.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.54 9.19 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -74.42 -58.82 1.76 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.77 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.2 m -43.62 -36.17 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' VAL . 1.9 tpt180 -78.54 -41.89 30.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 62' ' ' VAL . 37.5 t -36.76 -66.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 18.4 pt20 -54.74 -47.68 73.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 78.3 mm-40 -48.26 -64.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mt -42.19 -47.37 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.602 ' CE3' ' CB ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -70.62 -31.4 68.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.81 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.5 mt-30 -76.78 -7.64 55.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.551 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 17.9 tt0 -107.69 -49.27 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 75' ' ' ALA . 16.4 m-85 -97.98 -63.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.69 HD13 HG21 ' A' ' 92' ' ' THR . 54.9 mt -71.02 18.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.81 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -114.11 141.11 25.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 111.114 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.21 50.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.82 17.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.96 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -80.76 159.05 69.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.539 0.685 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.534 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.7 Cg_endo -69.77 -43.31 2.72 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.31 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.72 17.95 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.96 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -49.97 122.4 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.5 pt -101.96 -178.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -124.3 138.65 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 74' ' ' LEU . 16.2 mt -132.7 176.17 8.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -72.39 161.89 30.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 p -63.56 -48.68 76.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 88' ' ' SER . 11.0 ptpp? -67.38 -40.73 85.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 59.1 m -66.37 -60.58 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -44.21 -45.68 8.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.91 -54.02 50.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -47.98 -46.49 32.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.69 HG21 HD13 ' A' ' 74' ' ' LEU . 98.1 m -61.37 -62.04 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.0 m -40.46 -42.51 1.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -66.54 -43.28 85.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' VAL . 10.4 m-20 -64.38 -46.52 82.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LYS . 88.5 t -35.76 -39.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -34.57 -50.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -112.65 111.3 51.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 132.13 22.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.1 -137.83 3.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -117.8 -34.86 4.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -112.48 17.67 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 98.2 m -55.86 -39.04 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -97.51 17.51 17.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -52.23 -50.12 62.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.07 -58.36 7.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.26 -59.04 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.577 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 50.4 tt0 -44.57 -39.77 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -69.57 -49.68 51.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -48.94 -56.04 10.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.463 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 45.8 mm -61.4 -49.67 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.409 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 37.0 t80 -43.07 -62.84 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.486 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 41.4 mtmt -49.95 -39.2 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.546 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER -63.08 -66.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 116' ' ' LYS . 74.1 mtm -39.57 -45.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 8.6 mtpm? -33.23 -69.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.47 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.6 t -108.4 18.93 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.546 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 7.9 t0 -98.01 -70.88 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.607 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.1 t -92.16 -53.51 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.535 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 1.2 t80 -32.5 -49.84 0.56 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.738 0.78 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.607 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.6 Cg_exo -48.03 -59.62 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.234 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 123' ' ' PHE . 50.0 mmt-85 -47.18 -52.33 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 122' ' ' ARG . 5.5 t80 -35.22 -47.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 124' ' ' ILE . 5.0 mp -67.77 -50.07 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -48.41 -42.84 33.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 p -73.64 155.56 38.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' ALA . 5.8 m -80.29 -30.0 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.39 -44.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -75.08 -45.67 39.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -54.69 -48.62 72.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -40.55 -48.35 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.2 mp -54.57 -46.53 73.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 13' ' ' LYS . 12.4 mt -60.59 -62.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.7 t -46.9 -52.81 13.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 144.63 95.72 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 175.08 8.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.706 2.27 . . . . 0.0 112.355 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.0 t 53.38 42.62 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.1 t -90.93 -54.76 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 m 62.38 42.7 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -57.4 -57.44 12.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.12 135.13 4.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -120.85 150.41 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 t -42.66 -59.91 1.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.84 135.33 2.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -82.85 -43.72 16.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -50.94 -46.71 61.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -61.64 -46.34 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -55.52 -55.82 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.526 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 94.2 t -42.57 -57.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -39.01 -45.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 16.0 mtt180 -52.64 -46.11 66.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.526 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 24.7 m0 -48.62 -28.57 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.26 28.96 2.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 19.1 m-85 -116.38 15.34 15.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.17 151.08 9.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' ASP . 20.5 ttp -43.78 -48.62 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' MET . 2.4 t70 -34.71 -65.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.3 -50.84 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.79 -45.64 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD13 ' CH2' ' A' ' 48' ' ' TRP . 8.2 mt -67.22 -49.54 64.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' LEU . 16.1 mmtm -34.22 -62.07 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.459 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 19.9 t70 -69.5 141.78 91.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.0 Cg_endo -69.81 -45.32 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.17 -44.67 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.9 -29.55 59.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -64.58 -48.68 74.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -73.53 -41.64 62.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -58.02 -58.88 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.554 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 25.9 t80 -54.9 -33.2 61.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.3 tp -65.71 -55.91 14.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . 36.0 mttt -34.84 -56.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 49.3 t80 -51.46 -39.92 58.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 33' ' ' LEU . 44.4 mt -57.26 -61.04 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -37.15 -43.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -56.26 -54.68 42.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.599 ' OE2' ' CE2' ' A' ' 35' ' ' PHE . 15.3 pt-20 -82.29 11.26 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 55.71 39.02 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.403 ' CB ' ' HG3' ' A' ' 39' ' ' GLU . 81.3 p -117.33 17.26 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -69.52 -38.94 77.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HG3' HG22 ' A' ' 82' ' ' ILE . 5.9 pt-20 -45.19 -50.84 11.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -44.51 -43.14 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.61 -49.43 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' HD2' HH11 ' A' ' 46' ' ' ARG . 0.9 OUTLIER -43.13 -47.49 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -43.42 92.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.566 ' CH2' HD13 ' A' ' 23' ' ' LEU . 29.6 t90 -57.55 -50.16 74.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.09 -52.32 56.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.06 -46.0 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG11 ' OE1' ' A' ' 108' ' ' GLN . 89.7 t -62.64 -53.92 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -45.89 -37.12 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 56' ' ' LYS . 22.9 t70 -83.55 -42.07 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 53' ' ' ASP . 42.4 tp -32.33 -64.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -47.71 -42.3 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 53' ' ' ASP . 11.7 mmpt? -56.63 -40.8 76.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -53.64 150.04 14.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.702 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.717 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.2 Cg_endo -69.79 166.18 28.48 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.028 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.2 -31.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.13 -30.78 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -114.21 10.51 17.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.0 t -73.49 -58.22 2.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.1 Cg_endo -69.75 -51.47 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.1 m -42.11 -36.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -78.37 -41.81 32.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ARG . 43.3 t -35.05 -67.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.05 -45.23 87.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.9 mm-40 -50.87 -66.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.6 mt -40.88 -39.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.538 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.56 -32.11 57.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 1.009 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 26.8 mt-30 -81.51 -4.24 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 27.7 tt0 -96.2 -47.22 6.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 80' ' ' SER . 2.7 m-85 -117.92 -37.99 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.643 HD13 HG21 ' A' ' 92' ' ' THR . 28.2 mt -84.25 17.95 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.009 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -111.06 150.87 42.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 111.075 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.49 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.64 45.24 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -109.39 154.67 42.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 16.5 m -90.87 18.01 7.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -46.14 112.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' A' ' 73' ' ' PHE . 6.7 pt -95.11 -177.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -125.67 133.1 52.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.1 mt -129.8 174.01 10.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -66.07 176.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.9 p -79.47 -49.19 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -69.84 -41.95 74.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.487 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 45.6 m -61.4 -60.75 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -44.42 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -41.3 -58.21 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -49.53 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.643 HG21 HD13 ' A' ' 74' ' ' LEU . 89.1 m -53.7 -56.9 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.3 m -44.12 -43.4 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -71.4 -44.1 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.521 ' HB3' HG23 ' A' ' 103' ' ' THR . 79.1 m-20 -57.77 -47.8 81.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 92' ' ' THR . 88.8 t -40.24 -44.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -39.45 -45.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -98.48 113.64 64.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 122.31 8.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.22 -161.88 10.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -105.92 -36.6 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -103.1 16.65 26.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 95' ' ' ASN . 75.2 m -56.2 -35.86 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.421 ' CE1' HD12 ' A' ' 74' ' ' LEU . 83.9 m-85 -104.22 17.29 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -54.56 -42.46 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -64.15 -67.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.85 -49.41 29.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.513 ' OE1' HG11 ' A' ' 51' ' ' VAL . 33.2 tt0 -55.51 -36.92 67.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.518 ' O ' ' CD ' ' A' ' 113' ' ' LYS . 1.7 tt0 -69.3 -36.85 77.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 113' ' ' LYS . 16.0 t60 -59.87 -55.98 27.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.409 HG22 ' CE ' ' A' ' 115' ' ' MET . 41.3 mm -53.58 -31.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 17.1 t80 -58.08 -62.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.518 ' CD ' ' O ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -54.5 -15.03 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.2 tp -89.97 -71.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.421 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 37.2 mtm -43.03 -37.87 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.531 ' HG3' ' N ' ' A' ' 117' ' ' SER . 6.4 ptmm? -54.01 -45.21 71.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.531 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 3.3 m -117.78 14.2 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 114' ' ' LEU . 17.4 t70 -103.34 -63.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.567 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.9 m -95.61 -50.69 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.799 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.547 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 1.7 t80 -37.73 -48.42 2.69 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.667 0.746 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.567 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.2 Cg_exo -47.96 -55.49 3.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -64.38 -43.96 92.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 79.7 t80 -45.27 -39.16 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.6 mm -65.84 -39.78 85.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 121' ' ' PRO . 3.8 mpt_? -67.82 -47.09 70.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.5 p -52.06 161.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 128' ' ' ALA . 1.4 t -77.83 -36.11 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.79 -35.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -81.14 -44.5 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' GLU . 39.1 mm-40 -62.17 -55.14 31.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 8.3 pt-20 -36.72 -38.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.503 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 23.1 mt -65.99 -50.19 65.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.4 mt -55.8 -62.23 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.1 t -52.7 -48.03 66.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 78.88 94.86 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.31 2.85 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.0 t -56.19 150.77 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 m -51.04 -48.0 61.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.498 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -101.67 159.28 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 m -119.59 120.37 36.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.12 158.7 15.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t -72.72 -48.68 36.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -43.46 -51.32 6.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.01 -165.61 12.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 t -100.52 -37.73 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.896 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 133' ' ' LEU . 39.1 tt0 -43.84 -44.3 6.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.77 -41.68 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 11' ' ' ARG . 9.9 ttt180 -58.82 -55.88 29.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 87.2 t -41.48 -40.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -52.7 -49.2 65.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 30.4 mmt-85 -39.78 -52.97 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.575 ' CZ3' HG22 ' A' ' 12' ' ' VAL . 1.4 m0 -56.93 -42.01 79.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.33 -27.34 2.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -67.47 -47.03 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 120' ' ' TYR . . . 176.72 169.06 37.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.4 ' HG2' HD11 ' A' ' 23' ' ' LEU . 9.7 ttp -50.07 -46.21 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -41.63 -58.53 1.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 9.7 mm-40 -64.49 -26.01 68.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -76.25 -31.02 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.638 HD22 ' CZ3' ' A' ' 48' ' ' TRP . 10.8 mt -81.75 -55.19 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 16.8 ptmt -38.17 -38.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -87.66 143.61 34.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.572 0.701 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.86 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.03 -45.09 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -28.34 51.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.665 HH21 HD13 ' A' ' 49' ' ' LEU . 36.4 mtp180 -66.87 -51.35 56.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.7 pt-20 -70.66 -44.4 67.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 59.4 mm-40 -55.41 -60.79 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 4.6 t80 -54.72 -34.01 61.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.597 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.4 tp -64.53 -57.43 9.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 21.4 mttm -34.32 -63.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 25.8 t80 -42.71 -44.71 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 33' ' ' LEU . 48.1 mt -56.66 -51.9 66.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -39.08 -39.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 40.2 m -58.18 -61.9 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.573 ' OE2' ' CE2' ' A' ' 35' ' ' PHE . 11.0 pm0 -71.19 2.96 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 57.98 41.29 24.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' SER . 79.9 p -110.9 -20.78 12.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . 69.2 p -36.6 -41.46 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' SER . 24.6 pt-20 -37.03 -46.39 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 15.2 m-20 -55.42 -50.98 68.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' TRP . 53.0 tp -69.06 -58.65 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' LEU . 62.2 mtt180 -35.42 -47.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 1.3 t80 -64.39 -43.05 95.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.638 ' CZ3' HD22 ' A' ' 23' ' ' LEU . 57.4 t90 -56.82 -54.05 50.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.665 HD13 HH21 ' A' ' 29' ' ' ARG . 48.0 mt -57.55 -41.96 82.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.03 -43.0 66.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.5 t -58.98 -48.38 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -58.14 -54.86 42.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.4 t70 -58.99 -45.69 89.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASP . 22.9 tp -37.62 -57.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -46.8 -48.46 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -52.45 -45.45 66.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -52.03 141.45 29.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.468 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.2 Cg_endo -69.67 165.15 31.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.7 tp -51.51 -30.46 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -67.7 -30.22 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -115.03 12.82 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.555 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -76.34 -56.55 1.5 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 -55.91 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.284 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.5 p -40.56 -36.89 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.4 tpp180 -77.89 -47.03 19.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 62' ' ' VAL . 38.1 t -32.84 -68.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.43 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 16.3 pt20 -55.78 -47.9 76.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.9 mm-40 -49.26 -62.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.7 mt -49.62 -41.15 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.526 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.74 -19.69 61.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.924 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 25.0 mt-30 -92.45 -2.51 56.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.531 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 22.0 tt0 -98.97 -45.22 6.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD2' ' CB ' ' A' ' 80' ' ' SER . 0.8 OUTLIER -118.02 -40.98 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.526 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 31.6 mt -82.14 17.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.924 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.14 151.18 46.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -53.19 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -91.42 53.29 3.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -123.31 155.18 65.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.78 -52.3 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.578 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 11.7 m -85.22 18.01 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.87 104.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 80' ' ' SER . 31.9 pt -91.47 -178.01 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -127.58 131.18 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -122.5 153.4 39.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -58.63 145.68 38.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -47.9 -39.53 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -68.37 -60.51 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 m -52.92 -57.13 11.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -46.53 -56.75 5.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -44.23 -50.78 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -59.32 -55.89 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 96' ' ' VAL . 89.5 m -50.89 -62.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 m -41.44 -40.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -72.37 -43.26 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -60.5 -43.85 96.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 97' ' ' LYS . 83.5 t -41.62 -42.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 96' ' ' VAL . 9.3 mptt -32.1 -49.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 98' ' ' GLU . 2.0 pp20? -110.33 112.24 57.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 127.67 14.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.01 -138.87 3.28 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -117.97 -34.58 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -104.09 17.29 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.0 m -54.41 -46.44 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -99.93 17.86 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.89 -42.7 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -64.91 -64.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.9 -46.84 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.491 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 15.2 tt0 -51.58 -38.59 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.492 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 26.2 tt0 -71.46 -46.22 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -53.03 -55.37 24.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.518 HG22 ' CE ' ' A' ' 115' ' ' MET . 47.8 mm -60.18 -42.78 91.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.4 t80 -55.61 -56.14 23.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.502 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.0 mtmp? -56.1 -13.59 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.591 HD11 ' OD2' ' A' ' 118' ' ' ASP . 1.9 tp -94.89 -69.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.518 ' CE ' HG22 ' A' ' 111' ' ' ILE . 62.0 mtm -42.92 -36.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 117' ' ' SER . 13.9 ptmt -48.79 -50.22 35.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.52 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 33.7 t -117.94 15.94 14.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.591 ' OD2' HD11 ' A' ' 114' ' ' LEU . 11.2 t70 -105.28 -59.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.563 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 12.1 p -94.75 -54.54 3.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.81 ' O ' HD12 ' A' ' 124' ' ' ILE . 2.9 t80 -35.22 -49.86 1.21 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.659 0.742 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.563 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.9 Cg_exo -47.94 -55.86 3.63 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.718 2.278 . . . . 0.0 112.375 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.463 HH11 ' HD2' ' A' ' 122' ' ' ARG . 10.8 mmt180 -56.79 -42.56 79.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 7.8 t80 -45.73 -47.96 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.81 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.2 mp -59.29 -43.61 90.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.07 -42.36 89.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.6 t -60.05 142.61 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 8.7 t -64.26 -39.53 94.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.45 -40.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.445 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 3.4 t80 -76.79 -45.98 26.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -59.9 -55.62 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 7.9 pt-20 -40.19 -42.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.566 ' HB3' HG21 ' A' ' 12' ' ' VAL . 32.5 mt -58.9 -50.81 72.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.45 ' O ' ' CD ' ' A' ' 9' ' ' GLN . 11.4 mt -58.38 -61.2 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.2 t -53.97 -52.87 59.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 84.28 82.59 1.0 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -9.05 25.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 53.4 p -57.03 150.03 17.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 30.4 t -85.01 138.0 32.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -145.76 165.31 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -88.66 -60.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.61 140.48 3.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -100.34 -37.96 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.905 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -77.69 154.24 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.0 63.94 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.797 ' O ' HG23 ' A' ' 12' ' ' VAL . 50.2 m -110.55 -37.95 5.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -51.52 -55.97 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -55.45 -49.93 71.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 11' ' ' ARG . 35.6 ttp180 -57.62 -35.63 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 8' ' ' SER . 77.6 t -59.67 -61.1 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' TRP . 2.5 ttpm? -50.49 -47.61 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' LYS . 13.7 mmt-85 -37.02 -32.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 11.3 m0 -66.4 -51.06 60.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -43.12 -19.52 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' TRP . 90.2 m-85 -76.44 13.71 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.383 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.54 161.44 11.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.543 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.538 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 26.7 ttp -61.62 -44.09 97.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -37.87 -42.31 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -70.52 -40.77 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -67.43 -35.97 80.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.946 HD13 ' CH2' ' A' ' 48' ' ' TRP . 58.5 mt -65.8 -53.53 39.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 10.8 pttt -51.82 -30.37 23.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.489 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 38.2 m-20 -96.18 143.68 26.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 0.0 110.849 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.78 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.629 2.219 . . . . 0.0 112.377 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 94.7 t -62.71 -61.91 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.99 -30.14 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 26' ' ' PRO . 6.8 mtp-105 -65.06 -49.94 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 10.7 pt-20 -69.58 -44.62 70.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 19.1 mm100 -50.9 -60.75 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 35.9 t80 -54.64 -40.55 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.5 tp -58.49 -55.48 34.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LEU . 39.0 mttt -36.77 -61.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -49.05 -51.08 33.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 8.0 mp -51.46 -57.68 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -40.67 -46.56 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -56.97 -48.04 79.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.615 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.8 pt-20 -83.61 15.7 3.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.615 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER 50.75 45.7 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.1 m -118.01 -18.55 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.401 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 24.5 p -41.96 -34.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -46.2 -41.86 13.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -57.93 -54.15 50.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' TRP . 60.2 tp -67.79 -58.28 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LEU . 6.5 mtp-105 -34.4 -41.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.508 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 10.6 t80 -70.61 -46.64 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.946 ' CH2' HD13 ' A' ' 23' ' ' LEU . 55.0 t90 -50.42 -58.15 6.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.36 -45.08 84.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.61 -41.22 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.33 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.25 -46.83 82.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' LEU . 8.1 m-20 -72.73 -41.11 65.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' ASP . 28.7 tp -36.78 -66.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 0.6 OUTLIER -51.54 -42.13 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -58.9 -37.18 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' NH1' ' HD3' ' A' ' 65' ' ' ARG . 17.9 mmt85 -53.45 149.44 14.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.587 ' O ' HG23 ' A' ' 62' ' ' VAL . 52.9 Cg_endo -69.82 161.71 44.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.929 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -52.23 -36.34 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -66.47 -28.91 68.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -115.35 14.64 16.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -78.94 -58.34 0.71 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.77 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -48.06 -37.3 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' VAL . 7.4 tpt180 -75.42 -45.65 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.506 HG21 ' HA ' ' A' ' 99' ' ' PRO . 17.2 t -33.45 -61.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 13.5 pt20 -60.78 -49.88 75.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 60.6 mm-40 -44.35 -62.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.7 mt -48.96 -43.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.681 ' CE3' HG21 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -71.16 -19.57 62.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.926 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 36.3 mt-30 -93.74 -2.61 53.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.1 tp10 -97.37 -47.65 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -117.98 -37.96 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 70' ' ' TRP . 21.1 mt -83.54 17.99 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.926 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.1 149.55 43.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -53.2 0.28 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.57 43.74 3.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -114.51 154.98 46.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.548 0.69 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.78 -51.73 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 5.8 m -86.0 17.98 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -45.85 107.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' A' ' 73' ' ' PHE . 11.5 pt -91.95 -178.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -129.54 136.89 50.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 111' ' ' ILE . 36.8 mt -130.45 171.38 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -70.39 167.72 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.5 t -67.6 -43.98 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -70.03 -42.76 72.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.3 m -68.28 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -42.62 -53.85 4.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -49.53 -61.96 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -44.89 -49.15 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 96' ' ' VAL . 92.6 m -60.58 -59.24 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.421 HG23 ' CH2' ' A' ' 70' ' ' TRP . 22.9 m -38.19 -45.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -70.86 -48.65 52.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.567 ' HB3' HG23 ' A' ' 103' ' ' THR . 23.8 m-20 -53.39 -40.65 65.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.681 HG21 ' CE3' ' A' ' 70' ' ' TRP . 91.8 t -44.51 -56.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.486 ' N ' ' HE2' ' A' ' 97' ' ' LYS . 0.6 OUTLIER -34.94 -36.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' VAL . 13.6 mt-10 -95.37 106.14 24.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.678 0.751 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.506 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.4 Cg_endo -69.81 114.03 3.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.88 -150.85 5.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 41.3 mtm180 -116.09 -37.0 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 105' ' ' GLU . 11.8 m-85 -109.7 17.81 20.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.567 HG23 ' HB3' ' A' ' 95' ' ' ASN . 88.6 m -54.78 -33.42 61.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -98.92 18.01 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 56.9 tt0 -52.74 -53.46 47.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -53.67 -60.83 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 110' ' ' HIS . . . -46.97 -60.14 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.52 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 10.6 tt0 -39.82 -39.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -72.66 -40.97 65.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' ALA . 19.9 t60 -57.99 -52.46 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.461 HD11 HD21 ' A' ' 84' ' ' LEU . 29.1 mm -62.26 -42.51 95.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 6.1 t80 -54.42 -57.49 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 44.6 mtmt -55.89 -16.38 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.549 HD11 ' OD1' ' A' ' 118' ' ' ASP . 0.6 OUTLIER -90.85 -72.75 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.465 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 35.3 mtm -41.02 -43.64 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.9 ptmt -42.05 -46.64 4.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.506 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 32.3 t -117.18 17.51 14.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.549 ' OD1' HD11 ' A' ' 114' ' ' LEU . 1.3 t70 -98.55 -64.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.565 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -97.93 -52.51 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.764 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -32.9 -50.78 0.63 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.945 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.8 Cg_exo -48.01 -59.85 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mtp-105 -68.07 -43.85 77.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.2 -48.95 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 53.4 mt -56.44 -43.72 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.17 -41.46 98.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.5 t -59.64 136.98 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' ALA . 32.7 t -53.11 -35.46 59.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.05 -42.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -68.72 -49.78 56.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' GLU . 39.1 mm-40 -59.9 -38.55 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' GLN . 6.7 mm-40 -35.19 -45.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.543 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.4 mm? -68.63 -50.1 54.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.59 -59.64 4.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.1 t -55.2 -43.52 74.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 136.26 134.72 3.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -33.82 15.83 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.2 p -89.8 -47.68 7.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 56.2 m -88.23 163.62 16.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -139.18 144.69 38.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -52.15 -47.78 65.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.3 -98.88 0.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 m -139.5 135.64 33.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.864 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.4 p -46.24 -47.11 18.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.06 68.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -49.12 73.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.763 0.316 . . . . 0.0 110.865 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -42.61 -43.59 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -66.46 -44.6 82.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -51.95 -45.54 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 15' ' ' TRP . 81.3 t -50.15 -59.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -40.33 -40.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -51.8 -42.33 62.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 12' ' ' VAL . 5.8 m0 -57.91 -21.76 45.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.83 34.94 1.64 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.553 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -141.48 102.39 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.59 -166.85 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' ASP . 8.5 ttp -92.02 -44.26 8.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.77 0.319 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' MET . 2.0 m-20 -36.64 -51.15 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.4 -61.29 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.42 -41.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.514 HD13 ' CH2' ' A' ' 48' ' ' TRP . 8.1 mt -71.07 -50.61 31.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' LEU . 6.6 mtpm? -36.09 -62.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.97 143.65 96.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -50.1 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.7 -43.09 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.38 -26.82 59.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -69.07 -47.24 65.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.743 0.306 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.9 pt-20 -73.04 -46.92 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 40.4 mm-40 -54.84 -57.69 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 49.7 t80 -55.3 -39.01 69.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 36' ' ' LEU . 1.1 tp -60.5 -57.09 14.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 51.3 mttt -34.46 -60.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -46.44 -43.6 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 33' ' ' LEU . 56.8 mt -55.24 -60.72 3.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' OE2' ' NH2' ' A' ' 46' ' ' ARG . 62.5 mt-10 -36.86 -41.65 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -57.77 -56.61 19.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -74.29 4.56 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 52.39 44.23 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.442 ' O ' ' OD1' ' A' ' 44' ' ' ASN . 67.3 m -116.91 -24.22 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 43' ' ' GLU . 19.6 p -41.41 -31.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' HG3' HG22 ' A' ' 82' ' ' ILE . 5.4 pt-20 -33.29 -38.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.481 ' HB2' ' CG2' ' A' ' 111' ' ' ILE . 0.8 OUTLIER -72.62 -58.53 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -49.51 -46.37 48.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' NH2' ' OE2' ' A' ' 37' ' ' GLU . 15.5 mmt180 -46.49 -59.42 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.588 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.3 t80 -58.46 -44.81 89.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.514 ' CH2' HD13 ' A' ' 23' ' ' LEU . 69.0 t90 -49.91 -49.33 50.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.3 -44.85 74.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.96 -41.82 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' GLU . 60.8 t -58.74 -60.52 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' VAL . 59.1 mm-40 -37.0 -51.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -62.86 -52.35 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 63.6 tp -33.03 -49.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HB2' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -59.59 -47.86 83.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 20.2 mmmt -64.62 -35.63 81.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.28 147.52 13.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.419 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.7 158.73 56.01 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.5 tp -52.42 -34.45 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -64.15 -30.67 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -111.6 13.3 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.51 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.92 -58.58 2.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.78 -52.4 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.4 m -43.28 -34.45 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 4.5 tpt180 -79.77 -46.63 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 99' ' ' PRO . 36.1 t -33.74 -64.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 21.4 pt20 -61.79 -47.53 84.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 40.0 mm-40 -44.95 -63.53 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.5 mt -49.19 -40.83 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.609 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.65 -16.54 59.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.901 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.1 mt-30 -92.69 -1.95 56.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' HG2' ' A' ' 79' ' ' PRO . 8.4 tp10 -112.99 -35.4 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 18.2 m-85 -115.22 -49.46 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 52.8 mt -84.03 17.96 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.901 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.26 142.65 29.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 111.165 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.34 69.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.312 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.36 6.72 8.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.449 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -73.92 158.56 85.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.529 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.5 Cg_endo -69.75 -49.55 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.501 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 9.8 m -99.71 17.53 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.763 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -46.38 102.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.531 HG22 ' HG3' ' A' ' 43' ' ' GLU . 32.7 pt -80.55 179.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -129.07 130.67 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mt -129.79 158.34 39.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.412 ' OD2' ' CE1' ' A' ' 110' ' ' HIS . 1.6 m-20 -57.84 165.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.8 t -66.39 -46.05 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -64.71 -41.66 95.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -70.36 -53.12 17.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -56.89 -50.51 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.27 -54.61 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -54.02 -61.41 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 96' ' ' VAL . 94.4 m -42.53 -55.74 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 m -48.66 -59.29 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -49.11 -30.34 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.78 ' HB3' HG23 ' A' ' 103' ' ' THR . 38.3 m-20 -84.74 -34.9 22.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.545 HG21 ' CE3' ' A' ' 70' ' ' TRP . 52.2 t -40.87 -65.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -33.01 -36.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 96' ' ' VAL . 5.1 mm-40 -93.52 107.12 24.25 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.696 0.76 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.491 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.81 119.76 6.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.27 -153.39 5.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -116.01 -32.68 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -110.08 17.98 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 95' ' ' ASN . 77.6 m -56.13 -40.1 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -99.34 17.26 20.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -52.93 -61.43 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -46.93 -55.48 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.99 -51.98 37.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -44.44 -37.32 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.457 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 15.2 tt0 -71.23 -49.03 47.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.412 ' CE1' ' OD2' ' A' ' 85' ' ' ASP . 9.2 t60 -49.0 -48.62 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 44' ' ' ASN . 45.7 mm -66.94 -40.9 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 2.3 t80 -55.31 -51.75 65.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.497 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.2 mtmp? -62.43 -10.93 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.587 HD11 ' OD2' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -94.83 -64.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 38.1 mtm -51.09 -30.29 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.7 ptmt -55.56 -45.28 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.5 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.9 t -116.11 17.82 15.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.587 ' OD2' HD11 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -106.35 -62.84 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.564 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 74.7 m -95.6 -54.47 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.604 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 17.5 t80 -34.91 -49.98 1.08 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.654 0.74 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.604 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 66.2 Cg_exo -48.03 -63.18 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 125' ' ' ARG . 60.7 mtt180 -57.76 -48.55 79.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 73.6 t80 -40.76 -47.51 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 51.0 mm -58.96 -36.93 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.5 ' HD2' ' N ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -75.56 -42.4 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.6 t -55.21 155.41 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.3 m -83.14 -33.73 26.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -36.61 -41.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 123' ' ' PHE . 8.8 t80 -67.56 -50.13 59.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 131' ' ' GLU . 33.4 mm-40 -59.35 -36.95 76.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 130' ' ' GLN . 13.1 mm-40 -36.95 -51.97 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.807 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.7 mm? -64.76 -48.64 73.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.1 mt -43.56 -58.43 2.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.7 t -69.85 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 108.97 -100.85 1.43 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 122.63 9.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.26 . . . . 0.0 112.309 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.6 p -47.69 -47.76 29.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.7 p -88.84 -47.45 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.538 -179.932 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -94.95 -56.25 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -81.68 -56.13 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.43 87.98 0.78 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -68.81 127.76 34.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -93.86 -43.94 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.45 46.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.3 m -59.31 -46.13 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -46.42 -49.65 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -60.6 -43.69 97.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -56.75 -49.39 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.95 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 99.5 t -48.32 -59.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' TRP . 3.2 ttpm? -44.24 -45.88 8.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.455 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 7.6 tpt85 -37.58 -31.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.95 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 4.1 m0 -73.38 -56.72 4.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -36.54 -34.97 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 14' ' ' ARG . 59.1 m-85 -46.7 -44.9 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.606 ' HA2' ' CE1' ' A' ' 120' ' ' TYR . . . 176.38 156.37 15.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' ASP . 28.8 ttp -48.58 -59.77 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' MET . 10.0 m-20 -32.11 -39.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' MET . 5.8 mm-40 -80.62 -59.28 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -43.95 -36.54 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.71 HD13 ' CH2' ' A' ' 48' ' ' TRP . 46.9 mt -64.59 -56.65 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 2.1 pttt -39.08 -36.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.496 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 13.5 t70 -87.93 140.94 31.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.848 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.77 -46.69 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.79 -47.26 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.61 -28.06 64.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -66.13 -47.95 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.05 -41.19 62.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -56.97 -58.28 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 50.9 t80 -53.4 -36.49 61.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.2 tp -62.65 -57.46 10.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 36.4 mttm -36.97 -57.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 32.6 t80 -49.33 -54.72 15.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 32' ' ' PHE . 58.2 mt -47.73 -55.84 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' LEU . 18.7 mt-10 -34.3 -42.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 35' ' ' PHE . 15.2 t -57.69 -55.49 34.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.6 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.3 pm0 -80.11 17.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER 49.68 32.37 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 t -105.17 -14.39 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.505 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 86.1 p -42.02 -38.55 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -50.89 -41.41 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.529 ' O ' HG21 ' A' ' 111' ' ' ILE . 45.9 m-20 -49.02 -51.43 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 46' ' ' ARG . 15.5 tp -77.25 -45.75 25.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 8.5 mmm180 -37.32 -61.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 51' ' ' VAL . 5.8 t80 -52.18 -46.17 65.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.71 ' CH2' HD13 ' A' ' 23' ' ' LEU . 16.6 t90 -52.11 -60.02 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.5 mt -55.34 -45.56 76.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.72 -42.37 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 47' ' ' PHE . 90.0 t -70.21 -56.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.13 -44.41 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.3 t70 -80.56 -42.61 22.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' ' 65' ' ' ARG . 23.4 tp -34.48 -63.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -46.7 -45.59 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 32.3 mmtp -51.73 -42.8 62.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 4.9 mmp_? -51.94 153.31 4.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.675 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 166.09 28.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.05 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.67 -29.87 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -69.39 -30.77 68.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -113.14 11.87 18.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -76.46 -58.96 1.1 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.503 ' N ' HG12 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.73 -50.65 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.6 m -44.99 -38.68 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HB3' HD13 ' A' ' 54' ' ' LEU . 3.0 tpt180 -78.2 -45.36 23.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 62' ' ' VAL . 25.1 t -34.62 -63.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 12.2 pt20 -59.6 -52.83 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 7.5 mm-40 -41.79 -58.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.0 mt -51.3 -50.02 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.692 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.59 -12.67 61.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.899 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 27.9 mt-30 -94.39 -3.68 49.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -115.31 -37.89 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 30.0 m-85 -111.65 -46.32 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.692 HD12 ' HB2' ' A' ' 70' ' ' TRP . 19.8 mt -89.76 21.63 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -118.07 142.83 31.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 111.102 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 153.37 68.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.33 13.23 9.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.874 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -78.9 157.5 76.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.9 Cg_endo -69.72 -42.21 3.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.5 p -108.0 17.94 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.874 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -49.76 109.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.6 pt -83.41 -179.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -128.59 139.78 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.5 mt -134.68 175.97 9.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -73.7 164.38 26.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -65.15 -42.36 93.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -71.37 -42.88 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -65.86 -58.28 5.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -45.4 -47.64 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.96 -52.02 53.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -53.55 -49.47 67.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.603 HG21 HD13 ' A' ' 74' ' ' LEU . 72.6 m -58.1 -65.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.1 m -37.83 -56.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -59.9 -46.42 89.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.558 ' CG ' HG23 ' A' ' 103' ' ' THR . 7.4 t-20 -56.52 -40.41 74.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 92' ' ' THR . 65.7 t -44.4 -44.56 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 96' ' ' VAL . 2.6 mptm? -33.45 -49.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -112.23 114.13 51.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.92 13.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.54 -141.62 3.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -117.43 -35.16 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -109.05 17.96 21.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.558 HG23 ' CG ' ' A' ' 95' ' ' ASN . 52.9 m -56.07 -37.02 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -99.95 17.25 21.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.36 -53.62 42.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -51.47 -65.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.61 -51.33 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.452 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 15.7 tt0 -49.86 -39.0 37.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.413 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 25.3 tt0 -73.94 -44.18 55.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -53.75 -47.54 70.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 44' ' ' ASN . 48.0 mm -67.14 -49.12 75.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 69.2 t80 -44.78 -62.21 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 18.1 mtmt -48.52 -36.49 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.0 tp -66.44 -65.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 116' ' ' LYS . 69.4 mtm -43.98 -41.02 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 120' ' ' TYR . 25.3 mtpt -33.63 -67.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 17.3 t -114.25 18.01 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 28.9 t70 -97.97 -68.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.547 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 3.0 p -92.76 -48.48 6.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.656 ' CZ ' HD11 ' A' ' 124' ' ' ILE . 3.4 t80 -36.18 -49.62 1.68 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.547 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.5 Cg_exo -48.06 -56.4 3.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 125' ' ' ARG . 22.6 mmm-85 -55.12 -52.55 62.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.581 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 42.6 t80 -36.2 -53.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.656 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 82.1 mt -61.6 -41.24 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 122' ' ' ARG . 19.3 mmm180 -58.27 -49.58 76.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 m -60.59 175.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 128' ' ' ALA . 21.8 m -94.37 -29.81 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.69 -40.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -73.26 -48.87 31.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -57.92 -34.87 70.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -38.75 -64.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.808 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.3 mm? -48.0 -52.87 18.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.7 mt -48.06 -58.23 4.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.6 t -57.48 -47.36 82.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.18 64.94 2.27 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.54 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 51.5 m -141.9 173.08 11.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.9 t -105.75 128.38 53.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t 52.12 42.76 30.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 0.0 110.859 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -114.87 174.3 6.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.59 -33.8 12.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -81.37 15.59 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -61.41 -47.45 85.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.09 110.34 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m -104.09 -37.93 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.16 -57.69 4.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' CD ' ' H ' ' A' ' 10' ' ' GLN . 2.5 mp0 -50.94 -36.44 38.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -72.38 -40.41 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.583 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 82.7 t -57.83 -60.46 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . 20.8 tptm -40.91 -43.31 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -45.58 -41.61 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.583 ' CZ3' HG22 ' A' ' 12' ' ' VAL . 3.7 m0 -65.97 -29.25 69.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -77.9 33.27 1.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -117.94 -34.06 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.94 148.37 5.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.4 ttp -38.3 -50.32 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -40.27 -51.97 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.23 -59.39 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.85 -42.87 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.583 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 18.0 mt -65.62 -47.15 76.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -44.92 -51.59 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.93 142.1 72.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.652 0.739 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.254 . . . . 0.0 112.305 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.1 t -65.75 -39.76 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.87 -25.65 67.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.404 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 11.8 mtm180 -68.57 -48.25 64.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 9.1 pt-20 -71.9 -44.19 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 46.7 mm-40 -52.7 -59.89 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -53.77 -36.58 62.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.52 -54.65 36.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -39.57 -54.32 2.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 123' ' ' PHE . 55.0 t80 -51.29 -44.52 61.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 119' ' ' SER . 60.6 mt -55.69 -55.58 30.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -38.66 -46.66 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -54.28 -55.76 25.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.614 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.2 pt-20 -81.28 15.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.614 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 50.55 40.3 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.4 m -117.8 17.29 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.1 p -68.5 -42.65 78.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' ASN . 56.1 mt-10 -40.83 -58.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' GLU . 28.1 m-20 -35.92 -58.63 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 46' ' ' ARG . 44.1 tp -69.63 -56.84 6.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 45' ' ' LEU . 16.8 mtp85 -36.85 -44.81 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.492 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 4.5 t80 -65.34 -56.85 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.583 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 10.5 t90 -43.33 -54.59 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.4 mt -53.94 -46.34 71.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.11 -45.23 32.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.46 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 87.4 t -64.67 -50.65 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -44.26 -40.48 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -82.22 -39.59 22.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 69' ' ' ILE . 48.3 tp -36.63 -65.14 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -51.66 -40.25 59.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -61.52 -39.14 89.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 30.0 mmt180 -53.08 148.24 15.13 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.84 160.13 50.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 tp -51.19 -31.82 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -67.57 -30.09 69.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -115.46 10.61 15.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.516 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.12 -58.33 3.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.652 0.739 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.76 -51.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 m -45.27 -34.22 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.5 tpt180 -80.71 -40.56 25.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 62' ' ' VAL . 38.1 t -36.3 -67.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 19.4 pt20 -57.02 -47.06 81.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLN . 61.9 mm-40 -48.88 -68.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.441 ' CD1' HD13 ' A' ' 54' ' ' LEU . 18.2 mt -43.09 -38.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.61 ' CH2' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -75.35 -31.27 60.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.945 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 41.1 mt-30 -82.18 -2.73 53.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 23.4 tt0 -95.89 -52.96 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.687 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -111.79 -38.19 4.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 104' ' ' PHE . 49.8 mt -82.89 17.99 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.945 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -114.75 144.77 32.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 111.088 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.07 38.91 3.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.643 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -108.28 158.02 34.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.2 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.383 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.63 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 5.6 m -92.78 17.98 9.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 73' ' ' PHE . . . -47.39 109.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.687 HG23 ' HB3' ' A' ' 73' ' ' PHE . 6.9 pt -91.06 -177.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -126.1 118.35 25.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.3 mt -113.34 159.31 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.16 176.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.0 p -76.04 -38.23 57.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -74.88 -56.04 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 t -53.63 -52.89 58.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.05 -47.13 84.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -57.33 -51.62 68.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -60.94 -45.45 94.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' THR . 91.9 m -62.77 -63.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.61 HG23 ' CH2' ' A' ' 70' ' ' TRP . 58.8 m -34.68 -54.98 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -60.89 -55.26 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -46.95 -44.44 20.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.655 HG22 ' CE1' ' A' ' 104' ' ' PHE . 92.1 t -42.19 -43.13 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' VAL . 22.0 mmtt -35.31 -42.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -104.38 114.74 63.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 129.72 18.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.23 -147.68 4.65 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -115.4 -37.32 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -109.44 17.42 21.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.7 m -53.91 -42.33 68.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.655 ' CE1' HG22 ' A' ' 96' ' ' VAL . 87.3 m-85 -95.53 17.91 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -51.61 -57.32 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.03 -64.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.02 -42.6 60.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.46 ' NE2' ' HB ' ' A' ' 51' ' ' VAL . 6.3 tp60 -56.61 -42.61 79.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.414 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 14.5 tt0 -68.62 -42.84 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -51.88 -60.17 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 46.2 mm -55.13 -44.33 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 5.4 t80 -52.99 -57.85 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.428 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 7.5 mtmp? -55.91 -16.29 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.511 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 2.2 tp -92.72 -68.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.418 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 61.2 mtm -41.94 -39.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 117' ' ' SER . 7.0 ptmm? -48.64 -50.14 34.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.525 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 2.8 m -117.34 17.6 14.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.511 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -102.65 -60.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.574 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 18.0 m -96.87 -54.17 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.554 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -33.99 -50.07 0.86 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.574 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.5 Cg_exo -47.97 -63.44 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.353 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 125' ' ' ARG . 26.6 mtt180 -55.12 -50.22 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.476 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 29.7 t80 -38.94 -41.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 42.1 mm -70.48 -37.47 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 122' ' ' ARG . 11.1 mmt180 -57.12 -54.59 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 t -53.43 163.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' GLN . 3.5 m -83.11 -36.34 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -35.86 -47.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.24 -44.62 91.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' SER . 41.5 mm-40 -60.58 -41.67 95.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.17 -56.16 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 20.1 mt -51.91 -50.51 60.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.5 mt -47.3 -70.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 134' ' ' SER . 12.5 t 62.61 32.0 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -135.73 77.89 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 84.83 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.682 2.254 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 34.9 t -145.66 126.94 14.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.7 t -57.17 -44.58 83.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.751 0.31 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -42.49 96.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -61.67 -47.95 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.819 HG21 ' HB3' ' A' ' 132' ' ' LEU . 91.2 t -48.72 -55.71 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' GLY . 22.3 tptt -36.48 -46.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 mmt-85 -43.09 -46.9 5.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.763 ' CE3' HG13 ' A' ' 12' ' ' VAL . 1.7 m0 -62.35 -29.8 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -71.04 4.33 10.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -97.22 -41.23 8.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 175.42 143.9 4.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' GLY . 38.2 ttp -35.11 -45.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' MET . 19.9 m-20 -36.02 -63.76 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.54 -51.72 68.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.09 -39.24 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD22 ' HZ3' ' A' ' 48' ' ' TRP . 13.0 mt -68.67 -49.77 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -60.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -73.15 144.96 85.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.64 -39.72 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.68 -31.03 79.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 42.6 mtt180 -66.55 -48.89 68.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 15.2 pt-20 -72.12 -44.68 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 81.5 mm-40 -52.58 -59.86 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.502 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 17.0 t80 -54.97 -37.85 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 36' ' ' LEU . 1.4 tp -61.86 -53.92 49.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' LEU . 52.9 mttt -35.13 -59.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -49.98 -42.03 48.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 33' ' ' LEU . 57.8 mt -55.16 -62.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -39.04 -46.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.9 t -54.15 -48.34 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -85.11 12.64 7.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 52.13 39.58 26.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' SER . 51.1 m -114.15 -24.37 9.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.488 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 94.8 p -35.26 -42.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' SER . 7.1 pt-20 -33.79 -46.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.03 -55.38 31.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 46' ' ' ARG . 48.5 tp -64.64 -58.89 5.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' LEU . 16.5 mtp180 -35.54 -48.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 8.6 t80 -62.43 -49.51 75.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.575 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 7.5 t90 -49.13 -62.53 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.7 mt -49.19 -50.44 37.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.47 -39.88 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.443 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 99.4 t -67.69 -58.21 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -45.32 -41.27 8.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -79.95 -40.97 26.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 69' ' ' ILE . 66.8 tp -33.38 -63.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.16 -45.21 43.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 53' ' ' ASP . 7.2 mmpt? -51.44 -43.03 61.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mmp_? -52.36 150.45 8.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.67 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.77 166.84 26.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.228 . . . . 0.0 112.371 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 tp -56.24 -31.3 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -70.6 -32.94 70.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -108.27 9.91 27.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -75.84 -58.74 1.29 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.72 -51.36 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.4 m -44.99 -37.18 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.4 tpt180 -77.52 -45.03 26.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.555 HG21 ' CB ' ' A' ' 99' ' ' PRO . 27.2 t -33.25 -67.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 24.0 pt20 -56.71 -47.28 80.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.42 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 59.8 mm-40 -48.93 -62.25 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.528 ' CD1' HD13 ' A' ' 54' ' ' LEU . 46.7 mt -49.76 -40.57 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.571 ' CE3' HG21 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -73.34 -20.68 60.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.917 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.9 mt-30 -93.12 -1.81 56.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 4.7 tp10 -97.49 -47.64 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -117.98 -38.04 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 70' ' ' TRP . 35.6 mt -83.32 18.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.917 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -117.13 150.09 45.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.578 0.704 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -52.64 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.74 48.71 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.515 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -119.12 156.11 52.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.0 Cg_endo -69.8 -52.08 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.543 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 7.6 m -86.57 18.01 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.77 106.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.588 HG23 ' HB3' ' A' ' 73' ' ' PHE . 20.4 pt -89.55 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -132.23 131.0 41.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.443 HD21 HD11 ' A' ' 111' ' ' ILE . 9.7 mt -129.87 157.59 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.25 168.42 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.3 t -68.11 -57.67 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -53.36 -43.78 68.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.8 p -69.16 -59.04 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -48.87 -47.44 42.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.07 -50.74 66.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -56.18 -46.3 79.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.0 m -59.16 -62.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.1 m -40.64 -40.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -70.22 -44.52 68.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -60.65 -43.33 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.571 HG21 ' CE3' ' A' ' 70' ' ' TRP . 92.1 t -43.01 -44.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 96' ' ' VAL . 2.4 mptm? -32.26 -49.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -111.01 112.05 55.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.555 ' CB ' HG21 ' A' ' 66' ' ' VAL . 53.5 Cg_endo -69.73 134.29 27.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.16 -138.46 2.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -117.43 -35.75 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -110.84 17.91 20.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.963 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.9 m -56.67 -39.8 74.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -100.16 17.98 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -56.77 -45.72 81.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -52.93 -63.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.95 -48.07 32.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.575 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 30.3 tt0 -44.88 -38.14 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.509 ' HG3' ' CD ' ' A' ' 113' ' ' LYS . 14.5 tt0 -68.25 -57.34 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -47.51 -60.91 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.476 HG22 ' CE ' ' A' ' 115' ' ' MET . 42.8 mm -54.52 -54.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 2.0 t80 -49.01 -50.96 33.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.509 ' CD ' ' HG3' ' A' ' 109' ' ' GLU . 26.2 mtpt -61.3 -16.56 47.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 1.9 tp -92.91 -68.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.476 ' CE ' HG22 ' A' ' 111' ' ' ILE . 48.2 mtm -42.5 -39.08 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 117' ' ' SER . 5.1 ptmm? -47.73 -49.73 27.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.551 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 2.8 m -117.76 17.13 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.499 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -102.1 -61.47 1.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.576 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 14.7 m -97.04 -53.32 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.687 ' O ' HD12 ' A' ' 124' ' ' ILE . 2.8 t80 -34.56 -49.86 0.99 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.692 0.758 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.4 Cg_exo -47.94 -55.67 3.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 125' ' ' ARG . 94.8 mtt-85 -54.37 -47.16 72.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.502 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 4.1 t80 -40.27 -44.23 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.3 mp -68.75 -37.52 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 122' ' ' ARG . 15.7 mmm180 -64.33 -47.9 77.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t -64.94 176.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.1 t -96.65 -31.06 12.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -36.68 -44.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -47.62 68.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -56.56 -38.98 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -38.94 -59.83 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.819 ' HB3' HG21 ' A' ' 12' ' ' VAL . 2.0 mm? -48.37 -56.19 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.784 0.326 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -67.13 -50.64 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -49.41 -46.06 47.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.523 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 73.0 t -48.79 -60.76 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB2' HD21 ' A' ' 133' ' ' LEU . 18.1 ttpt -45.98 -34.86 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -46.86 -34.8 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.523 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 4.5 m0 -69.73 -28.49 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.65 28.33 1.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' A' ' 15' ' ' TRP . 14.9 m-85 -116.59 16.3 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 117.11 138.38 6.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.53 ' HG2' HD11 ' A' ' 23' ' ' LEU . 18.5 ttp -34.2 -47.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' MET . 7.8 p-10 -37.29 -53.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 80.9 mm-40 -65.78 -63.04 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.24 -51.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.702 HD13 ' CH2' ' A' ' 48' ' ' TRP . 36.2 mt -54.74 -56.21 21.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 21.7 mttm -38.11 -58.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.94 143.96 87.24 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.274 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.77 -50.2 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.86 -29.52 42.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.515 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' NE ' HD21 ' A' ' 49' ' ' LEU . 17.0 mtt180 -67.55 -49.68 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.7 pt-20 -71.64 -44.52 64.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 85.1 mm-40 -57.11 -59.58 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 24.2 t80 -52.95 -35.17 58.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.8 tp -64.42 -54.05 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . 60.7 mttt -34.52 -55.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -54.96 -50.54 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 40.9 mt -43.05 -54.61 4.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -43.65 -44.29 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.2 t -57.08 -47.28 81.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -84.87 10.61 11.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 52.65 39.49 28.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' SER . 78.1 p -113.67 -21.2 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.494 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 76.1 p -37.21 -46.28 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 44' ' ' ASN . 9.3 pt-20 -39.97 -45.5 1.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 11.5 m-20 -53.28 -48.51 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' ARG . 17.4 tp -72.91 -52.8 13.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' LEU . 25.7 mmt180 -36.52 -48.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 3.0 t80 -64.08 -49.39 72.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.702 ' CH2' HD13 ' A' ' 23' ' ' LEU . 50.1 t90 -47.45 -60.6 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.434 HD21 ' NE ' ' A' ' 29' ' ' ARG . 33.5 mt -53.65 -44.69 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 47' ' ' PHE . . . -46.41 -43.73 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.446 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 91.8 t -65.76 -47.53 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 6.3 mm-40 -50.66 -41.36 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' LYS . 7.1 m-20 -79.76 -40.78 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' ASP . 54.6 tp -35.67 -61.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.49 -41.3 40.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ASP . 7.4 mmpt? -60.43 -40.37 90.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 6.5 mmp_? -52.91 149.25 12.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.597 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.74 163.27 38.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.2 tp -55.85 -29.73 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -68.28 -31.4 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -113.85 11.62 17.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.0 t -74.73 -58.79 1.62 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.78 -52.72 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.2 m -43.31 -35.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' VAL . 17.0 mmt-85 -78.96 -39.4 34.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 63' ' ' PRO . 53.7 t -33.08 -68.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.5 pt20 -58.27 -48.55 80.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 54.2 mm-40 -44.18 -62.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.0 mt -48.43 -44.19 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.663 ' CH2' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -72.34 -20.55 61.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.966 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 35.1 mt-30 -92.09 -3.94 55.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.597 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 3.0 tp10 -96.44 -47.16 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.4 OUTLIER -118.0 -39.42 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 70' ' ' TRP . 16.9 mt -82.19 18.05 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.966 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -114.69 151.52 45.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.542 0.687 . . . . 0.0 111.106 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -53.15 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.56 50.82 2.65 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -118.17 156.56 50.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.7 -52.84 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.58 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 8.9 m -87.5 17.86 4.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -44.21 103.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.49 HG23 ' O ' ' A' ' 80' ' ' SER . 6.3 pt -91.71 -178.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -130.2 141.7 50.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 mt -133.26 175.48 9.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -76.52 166.75 22.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 p -67.88 -41.23 83.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -65.65 -41.11 92.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.1 p -75.74 -55.55 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -48.39 -54.24 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.82 -42.19 62.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -64.76 -57.96 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 96' ' ' VAL . 60.6 m -53.77 -61.54 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.663 HG23 ' CH2' ' A' ' 70' ' ' TRP . 6.0 m -39.26 -44.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -70.45 -49.85 44.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.428 ' HB3' HG23 ' A' ' 103' ' ' THR . 73.8 m-20 -52.87 -47.7 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 92' ' ' THR . 88.4 t -37.99 -43.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 96' ' ' VAL . 39.2 mmtt -36.28 -44.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -102.69 116.61 62.41 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.613 0.721 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.486 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.77 113.2 3.3 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.36 -165.26 10.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -97.91 -53.08 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -88.54 17.64 5.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 95' ' ' ASN . 94.1 m -54.36 -48.59 71.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -93.85 16.58 13.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -54.8 -49.35 71.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -60.4 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.78 -43.95 48.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.479 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 52.1 tt0 -52.28 -36.25 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.88 -43.4 62.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -54.5 -57.69 10.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.22 -41.66 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -54.29 -59.13 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 42.7 mtmt -54.4 -17.13 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.3 tp -91.57 -67.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.7 mtm -44.92 -37.94 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.537 ' HG3' ' N ' ' A' ' 117' ' ' SER . 10.2 ptmm? -51.39 -47.97 62.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.537 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 7.1 m -116.89 15.63 15.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' LEU . 0.9 OUTLIER -105.3 -60.2 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.606 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 2.7 m -95.54 -54.36 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.548 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 0.7 OUTLIER -35.83 -48.41 1.42 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.697 0.76 . . . . 0.0 110.936 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.606 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.0 Cg_exo -48.0 -62.12 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.366 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -58.06 -48.47 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 43.7 t80 -40.68 -43.03 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.58 -40.92 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -58.8 -49.65 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.5 t -54.44 168.55 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 1.9 t -90.88 -36.04 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -35.84 -40.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -70.72 -52.41 21.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 131' ' ' GLU . 29.9 mm-40 -53.54 -33.76 55.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 62.8 mm-40 -36.59 -65.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.613 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.0 OUTLIER -45.36 -51.47 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 13' ' ' LYS . 56.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' CD ' ' O ' ' A' ' 133' ' ' LEU . 49.1 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.748 0.308 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.57 -44.77 70.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -62.52 -42.54 99.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.976 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 87.0 t -53.88 -39.25 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ARG . 29.2 tptt -55.95 -51.55 67.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LYS . 9.0 mmt-85 -37.23 -37.88 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.976 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 6.6 m0 -62.79 -51.32 67.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.21 -23.07 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' TRP . 94.1 m-85 -76.28 12.4 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.898 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 115.45 159.78 12.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.577 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 6.8 ttp -54.89 -37.69 66.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -36.72 -48.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.25 -52.08 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.15 -55.26 8.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.834 HD13 ' CH2' ' A' ' 48' ' ' TRP . 47.9 mt -49.12 -48.36 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -52.46 -45.92 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.445 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 2.8 t70 -83.46 142.71 43.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.8 Cg_endo -69.76 -46.55 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 0.0 112.392 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.14 -48.15 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.98 -28.3 60.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -69.1 -48.89 61.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 8.2 pt-20 -69.67 -42.66 73.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 94.3 mm-40 -55.73 -56.72 17.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CE2' HD21 ' A' ' 36' ' ' LEU . 26.1 t80 -55.1 -33.37 62.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.4 tp -67.13 -51.36 54.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 65.6 mttt -34.87 -60.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -54.74 -52.4 62.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 119' ' ' SER . 0.5 OUTLIER -45.12 -55.09 6.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -51.9 -34.99 43.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 t -64.25 -49.62 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -84.11 13.07 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 53.73 43.46 31.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 p -114.53 -18.76 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.9 p -39.86 -37.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 80' ' ' SER . 6.6 pt-20 -38.89 -40.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' C ' ' SD ' ' A' ' 115' ' ' MET . 3.3 m-20 -66.08 -53.08 42.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' N ' ' SD ' ' A' ' 115' ' ' MET . 52.4 tp -67.49 -60.41 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LEU . 49.7 mtt180 -34.93 -42.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 23.1 t80 -68.69 -47.88 65.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.834 ' CH2' HD13 ' A' ' 23' ' ' LEU . 40.5 t90 -48.35 -57.76 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.3 mt -57.54 -45.94 84.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.91 -44.62 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.466 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 76.6 t -71.3 -51.8 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 37.2 mm-40 -41.23 -42.93 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 56' ' ' LYS . 30.1 t70 -81.06 -39.57 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 62.2 tp -33.6 -59.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -42.76 58.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 53' ' ' ASP . 26.5 mmtt -60.27 -40.44 90.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -52.0 146.36 15.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.598 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 165.07 32.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.407 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 6.7 tp -54.03 -29.21 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -33.83 72.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -110.37 12.22 23.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -77.15 -59.63 0.87 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.624 0.726 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.494 ' N ' HG12 ' A' ' 62' ' ' VAL . 54.0 Cg_endo -69.79 -54.08 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 p -43.94 -35.19 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 2.9 tpt180 -76.74 -42.92 39.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.475 HG21 ' HA ' ' A' ' 99' ' ' PRO . 42.8 t -34.42 -62.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 19.9 pt20 -63.4 -50.19 70.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 31.9 mm-40 -40.08 -68.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -44.41 -47.5 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.612 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -69.23 -24.14 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.763 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 21.9 mt-30 -81.78 -8.56 59.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.627 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 26.9 tt0 -106.36 -51.03 3.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.566 ' C ' ' H ' ' A' ' 75' ' ' ALA . 10.0 m-85 -98.07 -65.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.514 ' CB ' ' CE3' ' A' ' 70' ' ' TRP . 26.7 mt -67.86 18.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.23 141.61 27.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.131 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.64 52.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.23 . . . . 0.0 112.374 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.88 14.97 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.691 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -81.66 158.43 68.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.7 -47.16 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.286 . . . . 0.0 112.342 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.2 m -100.31 17.97 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -48.82 117.64 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.776 HD12 HD11 ' A' ' 111' ' ' ILE . 15.0 pt -103.09 179.63 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -125.05 135.06 52.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.2 mt -122.51 176.11 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 8.8 t0 -72.62 164.58 26.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 m -62.52 -39.87 94.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.6 OUTLIER -76.83 -46.21 25.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.482 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 31.6 m -61.18 -58.72 7.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -51.67 -56.63 12.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -52.04 -53.86 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -56.48 -40.26 74.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' ASN . 99.4 m -66.02 -63.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' THR . 20.3 m -34.95 -44.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -72.01 -44.84 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.5 m-20 -58.46 -39.39 79.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.6 t -40.94 -55.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -34.86 -36.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.428 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 12.4 mt-10 -96.04 105.13 19.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.657 0.741 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.475 ' HA ' HG21 ' A' ' 66' ' ' VAL . 54.4 Cg_endo -69.76 116.65 4.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.0 -151.32 5.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -114.28 -36.13 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -106.07 18.03 22.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.3 m -56.06 -42.08 76.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.511 ' CE1' HD12 ' A' ' 74' ' ' LEU . 81.1 m-85 -97.74 17.4 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -50.05 -56.97 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -49.03 -59.15 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -50.84 -52.9 36.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.556 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 40.3 tt0 -48.89 -38.64 23.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -73.92 -42.8 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 45.0 t60 -58.11 -44.77 87.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.776 HD11 HD12 ' A' ' 82' ' ' ILE . 48.2 mm -66.84 -44.79 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.0 t80 -53.63 -52.03 61.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.475 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 44.4 mtmt -61.99 -14.2 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 118' ' ' ASP . 0.6 OUTLIER -92.27 -68.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.521 ' CE ' HG22 ' A' ' 111' ' ' ILE . 44.8 mtm -47.86 -34.28 8.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.475 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -53.85 -46.09 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.5 t -111.59 14.77 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.469 ' HB2' ' HA ' ' A' ' 115' ' ' MET . 0.4 OUTLIER -107.04 -62.83 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.702 ' HB3' HD11 ' A' ' 36' ' ' LEU . 23.8 m -92.05 -52.12 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.1 t80 -37.58 -49.88 2.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.698 0.761 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 120' ' ' TYR . 63.8 Cg_exo -47.93 -65.47 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.64 2.227 . . . . 0.0 112.372 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' ARG . 60.9 mtm-85 -62.45 -51.94 65.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -37.9 -40.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.3 mt -70.51 -40.83 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 122' ' ' ARG . 10.3 mmt85 -58.34 -45.37 88.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 m -64.12 148.89 48.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 130' ' ' GLN . 75.6 m -60.0 -32.6 71.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.73 -38.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -76.01 -45.08 36.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 131' ' ' GLU . 48.3 mm-40 -60.5 -38.82 85.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 130' ' ' GLN . 14.5 mt-10 -35.69 -54.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.657 ' HB3' HG21 ' A' ' 12' ' ' VAL . 1.1 mm? -60.35 -51.21 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.454 ' O ' ' CD ' ' A' ' 9' ' ' GLN . 26.7 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.792 0.329 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -63.34 -43.87 96.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -59.15 -38.56 79.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.737 HG22 ' CH2' ' A' ' 15' ' ' TRP . 99.5 t -62.52 -55.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HB2' HD21 ' A' ' 133' ' ' LEU . 17.4 tptm -43.75 -44.42 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 6.4 mmm180 -47.04 -43.42 19.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.737 ' CH2' HG22 ' A' ' 12' ' ' VAL . 11.3 m0 -54.36 -29.57 48.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.86 25.56 2.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.457 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 14.3 m-85 -117.72 16.27 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 118.8 143.45 7.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 20' ' ' ASP . 7.3 ttp -37.84 -43.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' MET . 25.1 m-20 -33.85 -59.18 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' ALA . 75.3 mm-40 -63.02 -60.77 2.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -35.29 -39.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.467 HD13 ' CH2' ' A' ' 48' ' ' TRP . 12.2 mt -76.28 -47.47 23.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.4 mttm -38.39 -63.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.47 147.85 90.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.724 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.325 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.38 -37.97 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.51 -28.14 71.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -68.35 -48.4 64.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.9 pt-20 -71.97 -45.61 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 54.3 mm-40 -53.77 -58.96 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 9.5 t80 -55.23 -34.81 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' A' ' 36' ' ' LEU . 3.3 tp -63.3 -54.2 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LEU . 63.5 mttt -37.05 -56.4 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -52.44 -50.16 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 33' ' ' LEU . 52.5 mt -46.99 -58.13 4.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -42.23 -48.92 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -54.66 -44.01 72.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.56 13.56 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 52.35 39.2 26.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.8 m -112.22 -20.49 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -39.29 -44.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' HG22 ' A' ' 82' ' ' ILE . 8.8 pt-20 -39.15 -44.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -57.4 -56.17 25.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' TRP . 41.8 tp -60.65 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 45' ' ' LEU . 22.3 mtp85 -34.77 -49.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 30.1 t80 -63.25 -41.91 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' ' 45' ' ' LEU . 31.9 t90 -59.82 -56.15 25.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -58.78 -45.22 90.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.97 -42.41 17.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.455 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 92.9 t -66.1 -47.31 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.481 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 24.9 mm-40 -54.41 -49.51 69.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -71.72 -40.3 69.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -38.54 -43.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -60.93 -50.31 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -54.32 -39.42 67.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -52.16 145.9 17.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 160.31 50.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 tp -52.84 -30.26 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -67.05 -29.17 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -113.58 12.7 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -73.03 -58.54 2.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.72 -51.28 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 m -43.18 -36.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' VAL . 3.8 tpt180 -80.03 -47.44 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 62' ' ' VAL . 36.0 t -33.64 -64.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 5.8 pt20 -60.1 -47.93 83.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.431 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 54.9 mm-40 -46.36 -64.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.4 mt -46.22 -47.36 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.664 ' CH2' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -70.57 -22.63 62.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.772 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 25.3 mt-30 -84.28 -7.27 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 4.0 tp10 -108.75 -49.61 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' C ' ' H ' ' A' ' 75' ' ' ALA . 13.3 m-85 -98.09 -66.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.535 HD13 HG21 ' A' ' 92' ' ' THR . 30.8 mt -69.04 18.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.772 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.53 139.84 25.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 161.3 46.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.324 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.32 15.37 1.12 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -84.94 158.43 58.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.711 . . . . 0.0 111.08 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.4 Cg_endo -69.79 -47.74 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.252 . . . . 0.0 112.275 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -98.14 17.96 17.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.663 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -51.26 122.67 8.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.068 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.748 HD12 HD11 ' A' ' 111' ' ' ILE . 14.4 pt -108.13 179.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -126.28 136.65 53.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.5 mt -126.73 177.7 6.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.48 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 5.5 t0 -75.36 151.11 38.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.2 p -47.94 -36.85 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -72.71 -66.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -46.94 -53.62 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -52.93 -63.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -45.92 -52.98 10.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -56.18 -60.26 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.535 HG21 HD13 ' A' ' 74' ' ' LEU . 93.4 m -48.11 -63.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.664 HG23 ' CH2' ' A' ' 70' ' ' TRP . 24.2 m -34.7 -43.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -74.07 -43.97 55.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 92' ' ' THR . 2.5 m-20 -59.33 -40.31 85.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.568 HG21 ' CE3' ' A' ' 70' ' ' TRP . 84.8 t -39.76 -58.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -33.85 -37.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 96' ' ' VAL . 11.1 mt-10 -94.24 106.37 22.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.8 Cg_endo -69.72 114.38 3.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.97 -165.72 13.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -97.41 -50.0 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -88.22 17.78 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.8 m -53.22 -55.09 27.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -92.19 17.58 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -43.78 -43.62 6.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -65.56 -63.74 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.96 -46.6 16.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.481 ' NE2' ' HG2' ' A' ' 52' ' ' GLU . 50.4 tt0 -50.83 -41.33 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 17.6 tt0 -72.57 -47.21 49.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 75.5 t60 -48.12 -55.71 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.748 HD11 HD12 ' A' ' 82' ' ' ILE . 46.0 mm -59.15 -41.13 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 4.7 t80 -55.25 -54.82 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.467 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 21.9 mtmt -56.95 -16.27 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.594 HD12 ' OD1' ' A' ' 118' ' ' ASP . 0.9 OUTLIER -91.62 -72.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 32.8 mtm -45.02 -39.0 5.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -45.18 -47.63 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.506 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 3.0 m -117.61 16.83 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.594 ' OD1' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -104.89 -61.76 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.531 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 35.5 m -92.59 -54.08 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.532 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 3.1 t80 -34.07 -51.31 0.91 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.704 0.764 . . . . 0.0 110.952 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 65.1 Cg_exo -47.94 -56.54 3.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -52.23 -42.07 63.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -44.06 -41.52 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.515 HD11 ' CE1' ' A' ' 120' ' ' TYR . 4.7 mp -70.1 -36.23 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -68.27 -46.41 70.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 63.5 p -63.48 176.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 41.1 m -98.87 -32.31 11.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.82 -46.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.85 -46.87 80.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -59.62 -40.22 86.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -39.39 -55.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.598 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.5 mm? -53.74 -50.65 65.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 13' ' ' LYS . 10.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.728 0.299 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.57 -44.53 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.487 ' NE ' ' OD1' ' A' ' 25' ' ' ASP . 41.5 ttt180 -59.88 -41.02 90.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.632 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 74.6 t -56.2 -56.83 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 14' ' ' ARG . 23.3 tptm -40.34 -56.42 2.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' LYS . 3.3 mmt180 -35.26 -37.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.632 ' CZ3' HG22 ' A' ' 12' ' ' VAL . 10.8 m0 -65.76 -56.38 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -33.39 -43.97 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -44.55 -48.3 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.487 ' C ' ' CE2' ' A' ' 120' ' ' TYR . . . 172.09 164.5 27.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.569 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 22.1 ttp -47.93 -52.15 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 19' ' ' MET . 33.7 t0 -32.04 -59.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 16.1 mp0 -56.88 -62.09 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HB2' ' OH ' ' A' ' 120' ' ' TYR . . . -42.33 -51.47 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.598 HD13 ' CH2' ' A' ' 48' ' ' TRP . 87.3 mt -46.54 -55.91 6.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 6.3 mptp? -38.7 -53.2 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.487 ' OD1' ' NE ' ' A' ' 11' ' ' ARG . 18.6 t70 -80.25 142.21 54.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.637 0.732 . . . . 0.0 110.852 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.78 -46.83 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 98.4 t -62.81 -61.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -43.74 -28.59 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 18.0 mtm180 -68.49 -44.72 74.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 6.5 pt-20 -71.93 -38.07 69.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -56.43 -60.33 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CE1' HD21 ' A' ' 36' ' ' LEU . 7.3 t80 -53.1 -36.67 60.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.6 tp -62.62 -54.57 37.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 33.0 mttm -34.93 -59.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -48.8 -50.36 34.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 32' ' ' PHE . 44.3 mt -46.84 -58.69 3.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 42.6 mt-10 -35.73 -46.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.2 m -55.3 -53.49 55.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' CD ' ' HB2' ' A' ' 41' ' ' SER . 4.1 pt-20 -78.39 8.58 4.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 52.91 36.52 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.408 ' HB2' ' CD ' ' A' ' 39' ' ' GLU . 48.9 m -117.93 17.79 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.2 p -66.06 -33.34 75.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -42.15 -54.07 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -40.59 -59.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' TRP . 58.0 tp -68.56 -57.33 5.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LEU . 8.3 mtp180 -34.95 -42.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.534 ' CE1' ' CG2' ' A' ' 51' ' ' VAL . 2.6 t80 -70.84 -46.39 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.598 ' CH2' HD13 ' A' ' 23' ' ' LEU . 26.6 t90 -48.25 -61.15 2.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.6 -46.01 70.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.59 -43.16 46.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.534 ' CG2' ' CE1' ' A' ' 47' ' ' PHE . 72.8 t -65.98 -60.27 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' OE1' ' CZ3' ' A' ' 48' ' ' TRP . 6.6 mt-10 -36.5 -40.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 54' ' ' LEU . 40.5 m-20 -75.22 -41.24 58.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.48 HD13 HD12 ' A' ' 69' ' ' ILE . 68.9 tp -33.15 -65.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -47.96 62.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -51.49 -39.72 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -56.03 152.59 20.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.821 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.545 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.73 163.43 38.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.375 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.779 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -55.06 -30.87 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -70.81 -31.51 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -107.57 11.16 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -74.65 -58.83 1.65 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.79 -49.71 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 m -47.37 -37.1 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' VAL . 22.0 mmm-85 -80.34 -44.35 19.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 62' ' ' VAL . 11.9 t -33.32 -63.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 25.4 pt20 -58.79 -51.22 70.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 6.0 mm-40 -45.08 -65.77 0.49 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.48 HD12 HD13 ' A' ' 54' ' ' LEU . 31.1 mt -47.39 -43.97 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.698 ' CE3' HG21 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -70.79 -25.04 62.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.928 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 30.9 mt-30 -88.42 -2.83 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 17.4 tt0 -95.63 -47.66 6.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.61 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -118.02 -37.99 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.586 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 40.0 mt -82.88 18.04 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.928 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.58 149.08 43.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 111.085 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -52.35 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.367 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.05 39.73 3.11 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -109.7 154.45 42.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.609 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.5 m -87.33 18.02 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -44.89 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 73' ' ' PHE . 7.3 pt -84.96 -177.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -125.09 136.05 53.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.6 mt -126.1 171.26 10.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.86 144.47 43.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 76.9 p -45.27 -40.42 7.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -72.27 -60.87 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.7 m -50.26 -59.83 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -45.22 -50.04 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.31 -56.97 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -54.75 -58.85 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 96' ' ' VAL . 32.6 m -48.93 -59.48 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.418 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 33.8 m -36.89 -52.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -66.41 -54.84 19.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -44.57 -45.47 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.698 HG21 ' CE3' ' A' ' 70' ' ' TRP . 95.6 t -43.7 -46.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 96' ' ' VAL . 24.1 mmtm -34.5 -46.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.36 116.86 64.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.94 26.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.2 -159.11 9.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -106.28 -37.88 6.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -104.88 17.85 23.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.8 m -54.03 -47.7 71.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CE1' HG22 ' A' ' 96' ' ' VAL . 36.9 m-85 -97.1 17.84 16.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.32 -47.06 55.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.14 -59.9 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.34 -60.73 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.527 ' HA ' ' CE2' ' A' ' 47' ' ' PHE . 36.3 tt0 -43.87 -46.33 7.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' TYR . 33.6 tt0 -65.38 -53.8 38.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -39.18 -46.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.3 mm -63.97 -37.4 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.3 t80 -59.23 -56.26 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -58.93 -11.31 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.597 HD11 ' OD2' ' A' ' 118' ' ' ASP . 0.9 OUTLIER -93.09 -71.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.429 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 24.6 mtm -44.19 -39.42 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 117' ' ' SER . 5.0 ptmm? -44.71 -47.73 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.521 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.4 p -116.86 13.14 14.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.597 ' OD2' HD11 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -104.48 -64.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.519 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 38.7 m -94.19 -53.16 4.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.3 t80 -35.21 -50.86 1.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.713 0.768 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.519 ' HD2' ' C ' ' A' ' 119' ' ' SER . 63.9 Cg_exo -47.89 -54.16 5.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -56.05 -34.41 65.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.46 -49.09 68.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 124' ' ' ILE . 4.9 mp -61.72 -53.26 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -51.9 -46.38 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.6 p -60.02 153.71 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 128' ' ' ALA . 3.0 m -73.84 -41.85 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.82 -40.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -69.94 -54.71 12.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 131' ' ' GLU . 35.0 mm-40 -53.96 -46.06 71.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 9.2 mm-40 -35.88 -45.05 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 27.0 mt -66.54 -53.02 39.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -67.22 -41.81 85.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.33 -42.54 66.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.498 HG11 ' HB2' ' A' ' 132' ' ' LEU . 93.5 t -58.41 -59.28 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -43.65 -43.06 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -41.54 -38.18 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 9.1 m0 -67.93 -46.73 70.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -36.15 -43.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.491 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -48.47 -53.72 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.503 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 179.89 171.32 42.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 20' ' ' ASP . 7.0 ttp -54.91 -43.16 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 19' ' ' MET . 1.1 m-20 -31.98 -46.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 23' ' ' LEU . 71.9 mm-40 -78.01 -65.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -36.43 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.635 HD13 ' CH2' ' A' ' 48' ' ' TRP . 80.6 mt -79.03 -54.63 5.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -44.97 -34.64 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.42 146.26 31.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.577 0.703 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.84 -47.84 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.11 -28.98 51.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -67.74 -50.98 54.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.755 0.312 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.3 pt-20 -71.3 -47.46 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.5 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 91.2 mm-40 -51.67 -59.69 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 36' ' ' LEU . 15.9 t80 -52.72 -38.24 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -63.07 -55.89 21.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HE3' ' NE2' ' A' ' 31' ' ' GLN . 7.9 mtmp? -34.32 -55.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 123' ' ' PHE . 50.8 t80 -52.64 -50.46 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 32' ' ' PHE . 25.5 mt -44.11 -53.94 5.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' LEU . 49.7 mt-10 -36.49 -46.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 3.7 m -56.86 -52.25 65.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -83.41 14.79 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 52.17 42.49 30.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' SER . 26.9 t -114.11 -16.5 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.5 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 85.9 p -34.56 -40.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' ASN . 6.1 pt-20 -57.03 -54.81 42.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.444 ' O ' HG21 ' A' ' 111' ' ' ILE . 11.3 m-20 -36.99 -43.44 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' ARG . 14.2 tp -84.24 -55.97 3.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' LEU . 23.1 mtp180 -36.99 -42.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 13.9 t80 -66.2 -46.94 75.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.635 ' CH2' HD13 ' A' ' 23' ' ' LEU . 43.0 t90 -51.48 -62.2 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -48.9 -48.22 42.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.66 -56.67 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 81.1 t -54.4 -49.02 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE2' ' CH2' ' A' ' 48' ' ' TRP . 20.5 mt-10 -47.4 -45.79 25.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 63.0 m-20 -74.8 -40.25 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.628 HD13 ' CD1' ' A' ' 69' ' ' ILE . 62.9 tp -32.73 -66.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 5.7 ptpt -50.61 -42.21 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 45.8 mmtt -57.87 -40.79 81.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 57' ' ' ARG . 4.6 mmp_? -53.18 154.61 5.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 157.76 59.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.503 HG23 ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -48.38 -45.53 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.503 ' N ' HG23 ' A' ' 59' ' ' ILE . 4.7 ptpt -59.06 -28.47 66.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -108.15 16.74 23.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.621 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -79.27 -60.13 0.56 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 0.0 111.177 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.498 ' N ' HG12 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.78 -51.63 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.0 m -43.89 -37.99 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 11.6 tpp180 -79.12 -43.94 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 62' ' ' VAL . 25.8 t -33.86 -66.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 8.2 pt20 -59.45 -48.3 82.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 47.0 mm-40 -46.66 -63.3 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.628 ' CD1' HD13 ' A' ' 54' ' ' LEU . 21.3 mt -49.07 -40.73 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.624 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -74.66 -17.47 60.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.985 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 24.6 mt-30 -93.06 -3.37 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 2.7 tp10 -99.27 -45.98 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -118.0 -37.98 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' A' ' 70' ' ' TRP . 16.7 mt -85.33 17.97 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.985 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -113.12 150.58 43.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.563 0.697 . . . . 0.0 111.118 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -53.58 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.27 46.53 2.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -115.34 155.24 47.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.54 0.686 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.1 Cg_endo -69.75 -53.02 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.512 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 12.9 m -84.52 18.03 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -47.13 109.78 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.45 HG23 ' HB3' ' A' ' 73' ' ' PHE . 6.6 pt -95.33 -177.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -130.1 126.72 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.473 HD23 HD11 ' A' ' 111' ' ' ILE . 46.9 mt -115.77 162.91 16.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -53.48 158.18 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -53.06 -55.67 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -69.24 -43.56 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.478 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 67.1 m -51.6 -53.36 39.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -57.51 -49.92 74.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -53.13 -44.54 67.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -66.2 -48.44 70.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 96' ' ' VAL . 35.3 m -58.46 -56.74 18.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.7 m -45.65 -44.3 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -69.16 -45.16 70.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -58.77 -45.42 89.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.657 HG22 ' CE1' ' A' ' 104' ' ' PHE . 91.9 t -42.76 -44.03 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' VAL . 27.9 mmtp -35.16 -46.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.02 116.23 63.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.614 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.7 Cg_endo -69.75 132.89 24.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.09 -155.86 7.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.438 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 43.3 mtt180 -109.83 -38.0 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -105.2 17.86 23.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.0 m -56.07 -50.79 70.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.657 ' CE1' HG22 ' A' ' 96' ' ' VAL . 76.6 m-85 -90.26 17.91 6.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -54.1 -44.87 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.21 -60.38 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.1 -52.13 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.58 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 57.2 tt0 -48.2 -40.18 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -67.58 -48.11 67.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -52.41 -64.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.473 HD11 HD23 ' A' ' 84' ' ' LEU . 48.5 mm -52.35 -38.39 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.444 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 68.2 t80 -56.37 -62.62 1.6 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 37.6 mtmt -54.85 -26.1 33.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.488 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 0.5 OUTLIER -69.37 -70.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 116' ' ' LYS . 59.2 mtm -40.82 -37.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 115' ' ' MET . 18.4 mtpp -34.09 -70.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.441 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 3.5 m -107.48 18.03 22.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.488 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -97.92 -68.89 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.536 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -94.32 -51.91 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.503 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 0.9 OUTLIER -32.9 -51.42 0.64 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.914 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.536 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.7 Cg_exo -47.91 -59.3 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 123' ' ' PHE . 35.6 mtt180 -58.27 -51.94 67.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.451 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 16.1 t80 -36.97 -49.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.0 mt -64.92 -47.75 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -46.01 -51.02 14.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.3 t -60.05 140.51 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' ALA . 57.8 m -57.93 -36.05 71.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.79 -40.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -73.15 -52.15 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 131' ' ' GLU . 45.0 mm-40 -53.99 -42.66 69.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.1 mt-10 -35.86 -55.03 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.498 ' HB2' HG11 ' A' ' 12' ' ' VAL . 13.2 mt -55.95 -55.28 34.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.697 0.284 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -47.76 84.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -59.18 -40.26 85.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.543 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 55.9 t -54.98 -60.22 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' HD21 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -42.57 -45.03 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 44.8 mtt180 -52.68 -50.11 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.543 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 14.2 m0 -45.6 -28.37 0.95 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.68 29.32 2.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 22.5 m-85 -117.86 -33.22 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 158.65 146.74 4.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.476 ' HG2' HD11 ' A' ' 23' ' ' LEU . 24.6 ttp -33.75 -47.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' MET . 11.4 t0 -32.34 -54.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 23' ' ' LEU . 73.8 mm-40 -68.8 -62.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -34.22 -32.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.613 HD13 ' CH2' ' A' ' 48' ' ' TRP . 27.6 mt -79.07 -55.27 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 20.0 pttt -45.55 -33.52 2.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 74.8 m-20 -89.44 142.64 29.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.575 0.703 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -51.35 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 31' ' ' GLN . 72.1 t -65.7 -48.97 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.7 -29.84 26.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -66.22 -49.69 66.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.3 pt-20 -72.78 -44.67 61.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HG2' HG12 ' A' ' 27' ' ' VAL . 71.2 mm-40 -54.62 -57.78 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 20.9 t80 -54.14 -38.28 65.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 tp -63.91 -53.68 46.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' LEU . 34.6 mttm -36.35 -45.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -61.36 -45.44 94.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 9.9 mp -53.19 -56.33 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -38.23 -39.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -63.77 -49.02 74.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -84.1 12.59 6.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 53.59 44.47 29.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' SER . 3.7 m -114.33 -17.31 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.486 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 86.1 p -35.11 -49.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' HG3' HG22 ' A' ' 82' ' ' ILE . 5.3 pt-20 -38.81 -47.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -50.71 -55.68 15.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' TRP . 26.3 tp -67.51 -57.38 6.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -37.43 -42.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.519 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 21.1 t80 -69.67 -43.23 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.613 ' CH2' HD13 ' A' ' 23' ' ' LEU . 25.4 t90 -53.37 -59.1 5.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.6 mt -54.52 -47.67 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.8 -46.03 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 59.1 t -62.61 -51.58 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -43.31 -47.94 6.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' LEU . 25.5 t0 -75.55 -43.92 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 69' ' ' ILE . 47.9 tp -34.84 -64.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 12.5 ptpt -53.65 -44.01 69.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -56.46 -39.29 72.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -52.31 144.43 22.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.543 0.687 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.72 168.44 21.51 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.1 tp -54.08 -31.41 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -68.49 -31.24 70.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -116.3 13.56 15.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -75.35 -58.79 1.41 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.613 0.72 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.8 -51.3 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 m -46.63 -36.56 7.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.1 tpt180 -78.4 -45.04 23.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 62' ' ' VAL . 39.2 t -36.0 -65.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -59.49 -47.72 84.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -45.64 -61.08 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.5 HD12 HD13 ' A' ' 54' ' ' LEU . 31.4 mt -51.19 -44.01 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -71.6 -15.96 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.899 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 28.6 mt-30 -94.41 -2.17 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.488 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 2.9 tp10 -104.43 -44.52 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.519 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 2.4 m-85 -113.91 -47.24 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 28.6 mt -79.44 18.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -119.55 140.09 28.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.094 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.27 47.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.71 -19.34 5.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.642 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -52.08 161.89 0.91 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.712 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.642 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.6 Cg_endo -69.74 -49.5 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 82' ' ' ILE . 49.5 m -97.7 18.04 16.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -45.95 105.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 80' ' ' SER . 7.1 pt -91.98 -178.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -130.03 125.4 35.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.4 mt -110.39 162.02 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' SER . 8.8 t0 -60.66 136.39 58.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' ASP . 5.1 t -34.75 -37.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.8 tppp? -76.17 -63.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -45.1 -43.32 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -59.45 -54.91 41.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -54.43 -47.41 72.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 13.8 tmtt? -60.16 -44.76 94.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 96' ' ' VAL . 90.2 m -65.62 -61.51 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.5 m -42.82 -42.16 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -69.98 -44.68 68.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.552 ' HB3' HG23 ' A' ' 103' ' ' THR . 4.1 m-20 -60.24 -46.82 88.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 92' ' ' THR . 96.4 t -37.69 -41.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' VAL . 31.7 mmtp -34.89 -43.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -109.64 115.02 56.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 127.96 15.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -147.88 -147.86 4.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 48.7 mtt180 -115.93 -36.56 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -110.09 18.02 20.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.552 HG23 ' HB3' ' A' ' 95' ' ' ASN . 89.2 m -53.62 -44.35 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -94.42 17.04 13.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 22.3 pt-20 -46.56 -47.75 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 105' ' ' GLU . 1.1 m-20 -60.65 -66.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.11 -47.86 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -55.7 -39.55 71.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 9.2 tt0 -71.42 -41.71 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.428 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 44.7 t60 -54.52 -54.05 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.42 HG22 ' CE ' ' A' ' 115' ' ' MET . 36.9 mm -61.09 -37.69 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 5.4 t80 -57.12 -55.95 28.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.428 ' CE ' ' HA ' ' A' ' 110' ' ' HIS . 23.4 mtmt -56.1 -15.17 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.641 HD11 ' OD1' ' A' ' 118' ' ' ASP . 2.6 tp -92.91 -70.79 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.42 ' CE ' HG22 ' A' ' 111' ' ' ILE . 39.4 mtm -42.51 -36.62 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.547 ' HG3' ' N ' ' A' ' 117' ' ' SER . 8.0 ptmm? -51.89 -48.91 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.547 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.0 OUTLIER -117.87 15.98 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.641 ' OD1' HD11 ' A' ' 114' ' ' LEU . 16.1 t70 -102.05 -62.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.586 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.1 t -95.17 -52.53 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.533 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -35.0 -49.22 1.08 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.751 . . . . 0.0 110.909 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.7 Cg_exo -48.02 -62.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.712 2.274 . . . . 0.0 112.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -57.52 -48.57 78.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -40.84 -43.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.31 -41.52 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -56.68 -46.92 80.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -65.43 152.59 43.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 130' ' ' GLN . 4.8 m -72.87 -32.18 65.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.27 -38.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.76 -45.65 42.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' SER . 48.5 mm-40 -59.91 -39.95 87.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.2 mm-40 -37.65 -60.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.665 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.2 mm? -47.35 -62.04 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 13' ' ' LYS . 12.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.718 0.294 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -61.06 -45.56 94.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -55.16 -46.58 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 15' ' ' TRP . 71.7 t -50.45 -57.83 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -43.98 -42.13 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -48.37 -36.28 14.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -76.07 17.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 14' ' ' ARG . . . -96.2 23.01 36.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' CD ' ' A' ' 21' ' ' GLU . 31.3 m-85 -135.97 102.01 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.567 ' O ' ' CE1' ' A' ' 120' ' ' TYR . . . 59.22 -146.23 43.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.537 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 20.4 ttp -115.33 -35.02 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -33.47 -70.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.497 ' CD ' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.64 -32.13 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 19' ' ' MET . . . -66.43 -35.19 79.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD13 ' CH2' ' A' ' 48' ' ' TRP . 4.4 mt -81.38 -39.95 24.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -41.44 -65.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -76.1 150.1 82.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -51.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 87.4 t -53.17 -46.88 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.62 -31.38 74.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 33.8 mtm180 -67.19 -48.79 66.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.5 pt-20 -71.67 -44.21 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 8.7 mm-40 -53.94 -59.74 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.642 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 16.9 t80 -53.59 -36.78 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -62.01 -57.14 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . 31.3 mttm -34.94 -53.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -56.46 -54.46 45.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 84.6 mt -39.88 -50.97 2.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -45.01 -40.89 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -60.78 -48.9 79.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.58 16.29 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 52.03 37.85 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 t -117.94 17.79 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.5 p -62.31 -37.52 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.6 -47.68 84.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.473 ' O ' HG21 ' A' ' 111' ' ' ILE . 13.6 m-20 -42.08 -52.56 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' ARG . 40.9 tp -78.47 -53.2 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' LEU . 24.8 mtp180 -35.6 -49.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.526 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 10.9 t80 -65.14 -47.62 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.528 ' CH2' HD13 ' A' ' 23' ' ' LEU . 64.8 t90 -50.46 -51.62 45.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.82 -44.85 96.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.49 -52.72 7.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.89 -47.19 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 55' ' ' LYS . 35.4 mt-10 -51.69 -55.4 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD1' ' HG2' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -56.7 -43.14 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 31.8 tp -39.41 -53.29 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.519 ' CG ' ' HB3' ' A' ' 101' ' ' ARG . 23.6 mtmt -55.31 -47.32 75.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -62.12 -38.95 90.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 16.5 mmt180 -52.16 142.06 28.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.551 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.72 161.97 43.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.9 tp -52.24 -33.46 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -68.18 -32.39 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -110.15 11.37 23.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.0 t -72.69 -58.26 2.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.624 0.726 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.78 -50.85 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.339 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.1 m -42.91 -38.83 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.3 tpt180 -76.05 -43.34 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 62' ' ' VAL . 42.2 t -37.71 -66.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.409 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 18.7 pt20 -55.65 -46.88 77.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.9 mm-40 -49.41 -61.81 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.9 mt -45.55 -45.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.669 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -74.16 -24.92 59.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.756 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 23.9 mt-30 -82.8 -6.57 59.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -111.14 -48.5 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 34.4 m-85 -98.01 -65.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.956 HD13 HG21 ' A' ' 92' ' ' THR . 33.6 mt -70.86 18.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.756 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -112.79 140.68 24.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.62 56.34 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.68 17.05 2.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -83.32 159.14 62.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.581 0.705 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.529 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.71 -49.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.423 ' OG ' ' CE1' ' A' ' 73' ' ' PHE . 52.8 p -100.52 18.92 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.888 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -51.98 134.6 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.9 pt -112.76 -179.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.43 125.73 39.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.5 mt -118.64 177.63 4.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.64 176.24 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.5 m -69.17 -49.75 53.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 88' ' ' SER . 20.7 pttp -67.72 -44.15 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 26.5 m -61.15 -61.86 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -48.16 -58.21 4.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -48.54 -56.01 9.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -47.22 -48.33 24.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.956 HG21 HD13 ' A' ' 74' ' ' LEU . 90.4 m -56.25 -65.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' THR . 18.7 m -37.46 -45.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 2.9 t-80 -68.56 -44.28 74.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -59.31 -45.51 91.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.8 t -39.87 -38.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 94' ' ' HIS . 15.5 mmtm -36.54 -44.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -108.68 115.14 58.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.697 0.761 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.96 31.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 2.282 . . . . 0.0 112.299 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.51 -148.09 5.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.519 ' HB3' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -117.83 -36.87 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.6 16.92 21.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.4 m -55.23 -49.75 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.544 ' CE1' HD12 ' A' ' 74' ' ' LEU . 63.3 m-85 -90.34 16.98 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -52.4 41.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -53.09 -65.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.09 -42.62 39.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -51.47 -39.08 56.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.488 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 17.7 tt0 -68.74 -54.61 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -43.45 -56.65 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.473 HG21 ' O ' ' A' ' 44' ' ' ASN . 46.6 mm -56.35 -44.3 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 4.1 t80 -55.9 -55.75 28.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.488 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 7.1 mtmp? -58.21 -11.52 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.634 HD12 ' OD1' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -96.19 -68.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.449 ' CE ' HG22 ' A' ' 111' ' ' ILE . 31.2 mtm -48.79 -29.36 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.529 ' HG3' ' N ' ' A' ' 117' ' ' SER . 10.3 ptmm? -54.85 -46.28 74.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.529 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 7.5 t -115.83 16.58 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.634 ' OD1' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -103.73 -61.77 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.533 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 49.9 m -97.26 -54.94 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.613 ' CE1' HD11 ' A' ' 124' ' ' ILE . 4.7 t80 -33.35 -51.27 0.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.692 0.758 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 64.6 Cg_exo -47.95 -62.91 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.623 2.216 . . . . 0.0 112.376 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 125' ' ' ARG . 31.2 mtt85 -56.67 -51.91 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 122' ' ' ARG . 28.7 t80 -35.38 -39.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 120' ' ' TYR . 59.7 mt -74.44 -41.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 122' ' ' ARG . 14.0 mmt180 -61.37 -46.27 90.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.7 m -58.34 175.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 130' ' ' GLN . 37.9 m -91.68 -35.21 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.66 -34.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HD2' ' CE2' ' A' ' 123' ' ' PHE . 7.8 t80 -85.41 -42.41 14.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 133' ' ' LEU . 55.5 mm-40 -62.32 -52.49 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 16.9 pt-20 -37.56 -39.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.503 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 46.7 mt -64.57 -46.33 83.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 130' ' ' GLN . 16.3 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.94 -50.67 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -53.8 -51.12 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' HG ' ' A' ' 133' ' ' LEU . 83.3 t -40.73 -55.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -47.11 -39.17 12.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -50.53 -32.38 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 2.7 m0 -76.04 10.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.36 3.94 54.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -125.38 102.55 7.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.53 ' O ' ' CZ ' ' A' ' 120' ' ' TYR . . . 56.94 164.48 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.551 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 41.0 ttp -75.49 -43.62 48.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.569 ' HA ' HD12 ' A' ' 23' ' ' LEU . 10.4 t70 -32.92 -43.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.47 -60.16 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.25 -46.52 17.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 20' ' ' ASP . 14.1 mt -56.98 -49.97 74.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -43.17 -59.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.17 145.75 88.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.258 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.422 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 88.9 t -63.04 -46.41 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.3 -26.9 45.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -69.23 -48.24 62.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 5.9 pt-20 -71.1 -43.49 67.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.428 ' OE1' HD21 ' A' ' 132' ' ' LEU . 34.1 mm-40 -52.47 -59.0 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.563 ' O ' HD13 ' A' ' 36' ' ' LEU . 44.1 t80 -54.19 -34.86 61.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.1 tp -66.05 -54.37 26.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' LEU . 29.7 mttm -35.02 -56.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -56.79 -53.57 56.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 32' ' ' PHE . 5.9 mp -40.76 -50.9 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -47.14 -38.59 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 m -68.52 -50.57 51.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -80.54 15.48 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 52.01 42.3 30.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.8 t -112.93 -12.43 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.475 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 41.4 p -40.74 -37.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.49 -40.8 92.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' SER . 7.9 m-20 -54.23 -55.92 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' ARG . 31.6 tp -71.57 -55.3 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' LEU . 24.1 mtp180 -37.46 -44.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.47 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 7.2 t80 -65.65 -47.08 76.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.545 ' CH2' HD13 ' A' ' 23' ' ' LEU . 25.9 t90 -52.72 -60.2 3.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.2 mt -53.03 -52.26 59.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.94 -42.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.1 -53.17 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -50.06 -52.01 37.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.9 t70 -64.06 -47.91 78.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 65' ' ' ARG . 33.1 tp -37.59 -52.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -52.01 -52.68 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -46.31 -43.75 16.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -52.39 145.29 20.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 164.81 33.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.297 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.415 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 7.2 tp -50.4 -38.59 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -60.51 -28.59 68.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -112.71 15.12 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.677 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -75.67 -58.9 1.3 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.77 -51.02 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.0 m -43.48 -39.23 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.533 ' HB3' HD13 ' A' ' 54' ' ' LEU . 28.6 mmm-85 -80.42 -45.15 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 62' ' ' VAL . 17.9 t -33.8 -64.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.0 pt20 -59.94 -51.1 71.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.1 mm-40 -44.9 -64.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.6 mt -50.56 -42.01 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.609 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.23 -19.49 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.933 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 30.4 mt-30 -92.4 -2.22 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.582 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 2.4 tp10 -97.89 -46.07 6.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 80' ' ' SER . 0.3 OUTLIER -117.93 -38.99 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 44.4 mt -83.42 18.03 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.933 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -117.07 149.22 43.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.71 . . . . 0.0 111.093 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.404 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.47 43.6 3.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.525 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -113.81 154.03 45.92 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.586 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 55.4 m -87.21 18.02 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 73' ' ' PHE . . . -45.2 108.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 73' ' ' PHE . 12.0 pt -91.89 -177.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -129.71 131.59 46.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.2 mt -123.21 171.33 9.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' SER . 27.9 t70 -78.38 141.39 38.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' ASP . 74.1 m -38.07 -43.61 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -63.08 -59.68 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 t -55.37 -58.79 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -46.7 -48.66 20.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.21 -63.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -48.94 -48.1 43.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.3 m -58.41 -65.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.3 m -38.18 -46.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -66.34 -43.96 84.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -60.49 -45.28 94.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.584 HG21 ' CE3' ' A' ' 70' ' ' TRP . 98.8 t -38.87 -42.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -37.95 -43.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.93 115.97 61.56 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.67 0.748 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.44 4.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.27 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.92 -166.12 10.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -97.61 -46.53 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -95.53 17.98 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.6 m -56.97 -44.32 82.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' A' ' 74' ' ' LEU . 77.8 m-85 -95.45 17.51 14.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.7 -58.86 5.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.24 -65.13 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.22 -51.98 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 65.9 tt0 -45.33 -38.49 5.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 22.1 tt0 -71.26 -44.01 66.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -54.16 -51.86 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.17 -41.91 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.2 t80 -56.07 -55.05 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.2 mtmp? -58.43 -12.47 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -94.46 -64.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.421 ' HE2' ' HB2' ' A' ' 115' ' ' MET . 33.9 mtm -49.21 -33.93 13.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.536 ' HG3' ' N ' ' A' ' 117' ' ' SER . 8.7 ptmm? -52.55 -49.88 64.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.536 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 26.1 t -117.51 14.91 14.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 114' ' ' LEU . 18.7 t70 -102.48 -59.93 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.552 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 41.2 m -96.75 -52.66 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.831 ' O ' HD12 ' A' ' 124' ' ' ILE . 1.7 t80 -34.53 -50.44 1.0 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.642 0.734 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.552 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.0 Cg_exo -47.94 -56.68 2.89 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -55.95 -45.04 78.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -42.87 -42.23 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.1 mp -70.27 -37.28 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -59.08 -57.28 13.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 t -61.1 172.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' GLN . 57.9 m -91.23 -31.21 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.88 -38.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -77.64 -41.85 36.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 127' ' ' SER . 34.4 mm-40 -63.69 -34.58 78.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 130' ' ' GLN . 4.1 mm-40 -35.66 -65.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.794 ' H ' HD22 ' A' ' 132' ' ' LEU . 0.6 OUTLIER -49.64 -49.79 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.484 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 4.9 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.24 -38.68 75.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -64.48 -41.43 96.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.778 HG21 ' HB3' ' A' ' 132' ' ' LEU . 97.2 t -58.92 -46.68 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -44.47 -45.14 9.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -48.57 -36.79 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.676 ' CE3' HG13 ' A' ' 12' ' ' VAL . 5.1 m0 -68.57 -26.51 65.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.23 26.81 2.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -117.98 -32.86 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 168.23 147.0 5.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.571 ' O ' ' N ' ' A' ' 22' ' ' ALA . 8.9 ptm -36.24 -58.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' MET . 26.8 t0 -32.18 -49.29 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -60.57 -42.39 96.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -70.44 -44.16 68.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.595 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 15.3 mt -53.9 -53.78 47.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -59.94 -32.74 71.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 4.1 t70 -86.89 137.81 33.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -51.17 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.757 2.304 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.6 t -63.59 -37.47 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.73 -33.41 80.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -65.8 -48.54 71.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 6.2 pt-20 -72.6 -46.05 56.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 87.7 mm-40 -55.26 -55.9 26.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.535 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 43.0 t80 -56.31 -28.65 59.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -72.19 -48.11 45.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -38.98 -60.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 126' ' ' SER . 18.9 t80 -54.7 -47.34 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.487 ' HB3' ' CA ' ' A' ' 42' ' ' SER . 0.6 OUTLIER -50.61 -58.15 6.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -44.63 -42.46 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 m -62.55 -50.37 71.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.42 11.75 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 52.72 40.12 29.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' SER . 96.6 p -111.58 -24.6 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.487 ' CA ' ' HB3' ' A' ' 36' ' ' LEU . 17.5 t -35.87 -45.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 42' ' ' SER . 22.0 mt-10 -33.65 -52.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.73 -55.97 21.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.27 -61.54 2.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -40.13 -47.21 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -60.55 -45.08 95.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.595 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 9.5 t90 -56.32 -58.16 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.6 mt -55.77 -42.78 75.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.9 -47.7 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.074 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.75 -47.32 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' OE2' ' NE2' ' A' ' 108' ' ' GLN . 0.1 OUTLIER -50.12 -48.82 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.1 m-20 -66.47 -44.93 81.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 58.2 tp -35.45 -53.93 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -52.98 -48.02 67.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -55.93 -42.93 76.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -52.96 140.92 40.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.43 53.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.855 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -48.09 -34.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -62.82 -32.48 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.79 14.29 18.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.526 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.73 -58.64 2.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.676 0.75 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.73 -51.57 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.9 m -43.19 -38.53 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.9 tpt180 -74.97 -45.57 41.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.469 HG21 ' HA ' ' A' ' 99' ' ' PRO . 46.1 t -33.86 -66.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -55.52 -45.82 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 71' ' ' GLN . 5.6 mm-40 -53.24 -62.05 1.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 54' ' ' LEU . 36.7 mt -47.54 -37.18 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.599 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -83.18 -16.35 46.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.956 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 8.9 mm-40 -92.31 -5.07 52.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.582 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.0 tp10 -95.6 -47.58 6.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.679 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -118.0 -38.36 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.599 HD12 ' HB2' ' A' ' 70' ' ' TRP . 17.8 mt -83.37 17.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.956 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.83 151.03 45.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 111.123 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -54.64 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.44 52.06 2.73 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -122.08 154.63 61.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.573 0.701 . . . . 0.0 111.057 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.57 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.628 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 1.6 m -86.81 18.0 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.59 110.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.679 HG23 ' HB3' ' A' ' 73' ' ' PHE . 8.6 pt -95.58 -177.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -131.32 127.81 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.508 HD21 HD11 ' A' ' 111' ' ' ILE . 24.6 mt -123.09 162.48 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.42 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 7.1 t0 -62.71 137.59 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -40.49 -37.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -69.72 -58.52 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 p -53.14 -59.5 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -45.41 -62.57 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -42.46 -52.53 4.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -58.44 -57.11 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 93' ' ' THR . 78.7 m -51.63 -61.72 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 92' ' ' THR . 22.2 m -34.68 -49.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -64.82 -48.94 72.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.499 ' ND2' ' OD2' ' A' ' 106' ' ' ASP . 89.9 m-20 -54.85 -44.59 74.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 98' ' ' GLU . 96.5 t -40.63 -56.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 96' ' ' VAL . 6.8 mptt -33.53 -36.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 96' ' ' VAL . 9.2 mt-10 -95.52 104.59 16.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.74 116.12 4.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.03 -150.03 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -113.44 -38.0 4.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -104.44 16.59 25.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.4 m -56.39 -41.52 76.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.455 ' HE1' HD12 ' A' ' 74' ' ' LEU . 91.4 m-85 -86.3 -9.5 56.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PHE . 29.3 tt0 -33.48 -42.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.499 ' OD2' ' ND2' ' A' ' 95' ' ' ASN . 2.5 m-20 -64.84 -61.53 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.22 47.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.551 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 35.8 tt0 -43.33 -38.47 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -67.46 -53.96 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 7.0 t60 -44.32 -49.37 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.508 HD11 HD21 ' A' ' 84' ' ' LEU . 45.9 mm -66.51 -43.93 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -51.49 -65.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.509 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 39.1 mtmt -45.79 -34.42 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' A' ' 118' ' ' ASP . 2.3 tp -69.94 -69.29 0.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 116' ' ' LYS . 72.0 mtm -41.53 -39.86 1.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.509 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 26.9 mtpt -35.72 -68.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.483 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 4.4 t -114.53 17.87 17.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.545 ' CG ' HD11 ' A' ' 114' ' ' LEU . 33.5 t70 -98.87 -65.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.599 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.4 p -90.01 -52.37 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.615 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 25.9 t80 -33.15 -49.69 0.65 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.698 0.761 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 65.9 Cg_exo -47.97 -59.37 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 49.3 mtt-85 -48.19 -50.96 27.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 44.1 t80 -37.54 -57.78 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.573 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 55.5 mt -56.29 -59.87 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.07 -42.37 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.465 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 5.5 t -66.29 147.24 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.5 t -68.03 -35.39 78.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -37.52 -41.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -68.75 -53.86 19.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 131' ' ' GLU . 31.3 mm-40 -53.93 -37.78 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 130' ' ' GLN . 6.4 mm-40 -35.17 -61.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.778 ' HB3' HG21 ' A' ' 12' ' ' VAL . 1.7 mm? -52.49 -61.54 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.897 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 133' ' ' LEU . 43.3 tt0 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.713 0.292 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -60.45 -50.14 74.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 8.6 mpt_? -58.36 -48.25 81.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.674 HG11 ' HB2' ' A' ' 132' ' ' LEU . 57.5 t -50.36 -53.2 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -57.13 -48.45 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.2 mmt-85 -43.63 -46.28 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.53 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 2.0 m0 -57.1 -50.61 72.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.8 -24.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' TRP . 56.0 m-85 -76.9 13.91 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' TRP . . . 122.08 170.09 13.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.547 ' HG2' HD21 ' A' ' 23' ' ' LEU . 16.9 ttp -68.74 -42.32 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 19' ' ' MET . 5.6 m-20 -32.71 -45.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 63.5 mm-40 -69.56 -43.6 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -64.86 -31.91 73.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.922 HD13 ' CH2' ' A' ' 48' ' ' TRP . 45.4 mt -71.89 -55.98 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.1 ptmm? -54.33 -33.94 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -92.33 142.02 25.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.31 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.721 2.28 . . . . 0.0 112.339 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.09 -44.77 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.83 -28.72 68.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' CZ ' ' CD2' ' A' ' 49' ' ' LEU . 20.8 mtt180 -69.8 -49.85 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.308 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.3 pt-20 -70.36 -44.1 68.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 61.8 mm-40 -52.81 -61.35 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.601 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 14.5 t80 -54.39 -36.55 64.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.6 tp -63.25 -53.11 58.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' LEU . 67.2 mttt -35.99 -53.92 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 33.6 t80 -56.6 -45.15 81.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.601 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 42.1 mt -48.33 -57.33 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -42.19 -38.98 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -61.87 -50.04 73.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.613 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 4.8 pt-20 -85.76 12.08 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.613 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 51.21 40.94 27.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.446 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 22.9 m -117.96 16.16 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 m -68.39 -38.35 81.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' CA ' ' OE1' ' A' ' 43' ' ' GLU . 1.5 mm-40 -41.83 -49.16 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -47.51 -56.38 7.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 48' ' ' TRP . 25.1 tp -67.26 -54.45 20.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' LEU . 3.1 mmp_? -36.14 -51.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 7.1 t80 -61.75 -42.24 98.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.922 ' CH2' HD13 ' A' ' 23' ' ' LEU . 24.2 t90 -56.29 -61.85 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.41 ' CD2' ' CZ ' ' A' ' 29' ' ' ARG . 74.0 mt -51.12 -46.65 61.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.29 -55.98 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.88 -54.13 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -40.01 -44.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' LEU . 4.4 t70 -73.12 -41.79 63.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASP . 50.5 tp -37.35 -46.59 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -49.58 77.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -57.86 -39.36 77.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -51.97 151.92 6.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.474 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.83 163.4 38.48 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.025 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.99 -27.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -72.94 -30.76 64.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -105.66 9.81 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.524 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -74.78 -58.64 1.63 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.73 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.404 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -47.45 -34.86 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.8 mmm180 -78.97 -43.53 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.537 HG21 ' HA ' ' A' ' 99' ' ' PRO . 25.3 t -32.85 -64.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.6 pt20 -60.17 -47.73 84.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 23.3 mm-40 -45.97 -59.04 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.3 mt -51.5 -41.57 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.69 -17.96 61.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.94 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 36.1 mt-30 -94.54 -0.62 54.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.561 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 15.1 tt0 -101.39 -44.94 5.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.8 OUTLIER -117.6 -38.81 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.575 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 57.1 mt -85.0 17.99 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.94 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -119.82 142.71 33.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.052 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 137.73 36.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.67 -16.28 15.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -52.09 159.82 1.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.552 0.692 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.6 Cg_endo -69.77 -44.7 1.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.238 . . . . 0.0 112.304 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.603 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 11.9 m -101.18 18.08 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -45.79 103.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 80' ' ' SER . 8.1 pt -91.37 -177.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -126.39 139.92 52.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 69.9 mt -128.64 177.67 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' SER . 43.8 t0 -84.6 131.53 34.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' ASP . 25.2 m -36.4 -36.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -70.28 -64.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 m -54.36 -53.88 48.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -48.45 -51.74 25.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -48.37 -57.56 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -52.12 -49.06 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' THR . 25.5 m -56.95 -60.67 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' THR . 11.1 m -36.07 -55.28 0.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -65.31 -46.05 81.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -52.31 -44.05 64.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' LYS . 90.4 t -46.86 -42.04 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' VAL . 15.8 mmtp -35.18 -47.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -100.94 114.5 65.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.537 ' HA ' HG21 ' A' ' 66' ' ' VAL . 54.4 Cg_endo -69.71 118.65 5.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 0.0 112.375 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.48 -148.18 5.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -116.45 -37.12 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -109.9 18.04 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.2 m -51.72 -41.26 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -91.65 17.91 8.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -47.07 -50.52 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.28 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.42 ' NE2' ' CD1' ' A' ' 48' ' ' TRP . 8.4 tp60 -37.75 -43.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 112' ' ' TYR . 25.1 tt0 -68.27 -60.7 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 109' ' ' GLU . 43.5 t60 -36.51 -54.23 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.695 HG22 ' CE ' ' A' ' 115' ' ' MET . 48.7 mm -55.79 -42.72 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 7.1 t80 -55.53 -56.82 15.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.482 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -55.12 -14.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.639 HD11 ' OD2' ' A' ' 118' ' ' ASP . 2.3 tp -93.58 -70.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.695 ' CE ' HG22 ' A' ' 111' ' ' ILE . 51.3 mtm -44.31 -35.28 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.534 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.5 ptmt -51.2 -49.2 61.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.534 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.6 t -116.88 17.94 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.639 ' OD2' HD11 ' A' ' 114' ' ' LEU . 50.8 t0 -98.0 -67.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.572 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -95.66 -49.81 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.824 ' O ' HD12 ' A' ' 124' ' ' ILE . 1.4 t80 -34.64 -49.92 1.02 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.572 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.9 Cg_exo -47.95 -54.63 4.94 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.264 . . . . 0.0 112.3 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -59.89 -38.74 83.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -48.65 -44.75 37.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.824 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.3 mp -65.6 -53.36 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.22 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.9 t -63.03 148.86 46.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' ALA . 3.1 m -67.81 -37.82 82.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.09 -40.27 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.3 -59.54 2.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 131' ' ' GLU . 35.7 mm-40 -49.12 -44.14 42.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 130' ' ' GLN . 7.3 mt-10 -36.25 -43.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.674 ' HB2' HG11 ' A' ' 12' ' ' VAL . 12.7 mt -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.409 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 22.7 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.771 0.32 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -68.88 -40.33 79.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -42.64 86.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.549 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 90.7 t -59.54 -58.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -46.11 -46.12 16.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -42.26 -41.53 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 6.9 m0 -62.81 -41.35 99.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.3 -20.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' TRP . 39.5 m-85 -79.24 15.22 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.558 ' C ' ' CE2' ' A' ' 120' ' ' TYR . . . 109.75 166.98 19.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.58 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 27.7 ttp -59.97 -43.15 95.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 19' ' ' MET . 9.0 p-10 -32.22 -41.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' OE1' ' CD ' ' A' ' 24' ' ' LYS . 63.2 mm-40 -76.91 -66.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -36.04 -35.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD13 ' CH2' ' A' ' 48' ' ' TRP . 81.2 mt -66.73 -55.35 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -49.13 -36.7 19.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.479 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 19.0 t70 -85.59 141.12 36.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.656 0.741 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.75 -45.4 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 31' ' ' GLN . 98.2 t -69.67 -57.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.39 -29.18 2.49 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -67.24 -48.8 66.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.5 pt-20 -69.75 -43.69 71.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HG2' HG12 ' A' ' 27' ' ' VAL . 18.1 mm100 -53.54 -60.45 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CE1' HD11 ' A' ' 36' ' ' LEU . 20.4 t80 -50.8 -38.11 46.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -62.25 -54.2 44.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . 33.4 mttm -35.24 -61.85 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -47.02 -54.55 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD11 ' CE1' ' A' ' 32' ' ' PHE . 8.9 mp -47.4 -58.13 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -38.75 -35.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -71.26 -50.0 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 41' ' ' SER . 10.4 pt-20 -77.84 11.22 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 53.66 43.28 31.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.468 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 3.1 m -115.71 -21.4 9.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLU . 59.8 p -34.83 -44.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' SER . 1.3 mm-40 -35.07 -48.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -53.21 -57.73 9.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' ARG . 24.6 tp -65.51 -56.42 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LEU . 36.6 mtp180 -34.92 -43.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.571 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.8 t80 -69.38 -49.82 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 16.1 t90 -50.08 -63.11 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -47.52 -46.85 27.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.78 -43.37 37.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.42 -54.86 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 32.2 mm-40 -41.84 -42.03 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 54' ' ' LEU . 10.2 t0 -75.73 -43.61 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 69' ' ' ILE . 59.5 tp -34.4 -65.42 0.2 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -49.12 -48.89 44.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -52.36 -40.23 61.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -53.7 152.66 9.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.548 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.74 163.06 39.65 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.87 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -55.16 -29.05 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -71.95 -31.87 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -108.32 10.72 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -73.28 -58.61 2.36 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.3 Cg_endo -69.7 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.6 m -41.87 -36.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' VAL . 16.3 mmt-85 -82.08 -42.92 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 62' ' ' VAL . 23.3 t -32.74 -65.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 6.1 pt20 -61.52 -48.47 80.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 67.4 mm-40 -46.49 -63.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.475 ' CD1' HD13 ' A' ' 54' ' ' LEU . 25.3 mt -47.52 -44.01 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.519 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -71.79 -18.79 62.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.976 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 22.8 mt-30 -92.09 -2.12 56.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.549 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 11.0 tt0 -107.04 -39.5 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 4.4 m-85 -117.99 -42.14 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 70' ' ' TRP . 18.0 mt -86.55 17.78 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.976 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -111.66 149.84 41.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -54.37 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -91.6 53.88 3.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.443 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -122.62 156.16 61.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.542 0.687 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.7 Cg_endo -69.78 -52.76 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.603 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -87.06 18.0 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.13 109.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.9 pt -94.29 -176.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -130.57 130.94 44.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 111' ' ' ILE . 37.5 mt -123.7 165.23 17.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.82 165.06 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.9 p -67.22 -44.85 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 88' ' ' SER . 14.4 ptpt -72.36 -43.01 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 67.6 m -63.87 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -46.68 -47.96 20.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.66 -52.64 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -51.92 -48.81 64.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.6 m -61.04 -52.18 66.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.7 m -39.72 -47.45 2.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -67.46 -44.45 78.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.619 ' HB3' HG23 ' A' ' 103' ' ' THR . 89.8 m-20 -58.63 -41.27 85.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.485 HG21 ' CE3' ' A' ' 70' ' ' TRP . 88.5 t -47.55 -46.06 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -39.77 -43.24 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.85 116.17 62.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HA ' HG21 ' A' ' 66' ' ' VAL . 54.0 Cg_endo -69.77 140.77 43.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.616 2.211 . . . . 0.0 112.362 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.75 -151.05 6.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -114.3 -35.89 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' GLU . 5.4 m-85 -111.92 16.77 20.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.619 HG23 ' HB3' ' A' ' 95' ' ' ASN . 87.4 m -53.36 -38.12 63.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -98.89 17.63 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 5.4 tp10 -49.92 -51.95 37.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -60.98 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.91 -61.79 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.586 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 27.0 tt0 -44.81 -38.72 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -71.32 -47.0 59.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -52.32 -58.13 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.437 HD11 ' CD2' ' A' ' 84' ' ' LEU . 46.9 mm -59.51 -34.84 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -58.0 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 20.6 mtmt -50.03 -29.92 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.524 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -67.84 -74.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.467 ' O ' ' C ' ' A' ' 116' ' ' LYS . 65.8 mtm -37.97 -42.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 115' ' ' MET . 18.7 mtpp -32.98 -71.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 40.3 t -102.96 17.82 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.524 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -98.92 -66.07 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.559 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 20.4 m -93.38 -50.93 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.4 t80 -33.5 -50.7 0.76 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.668 0.747 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.559 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.5 Cg_exo -47.94 -53.96 5.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.378 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.504 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 42.8 mtt180 -61.44 -39.23 90.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -63.61 -40.62 97.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.95 -43.97 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.504 ' CG ' ' HA ' ' A' ' 122' ' ' ARG . 4.3 ppt_? -73.08 -30.15 63.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.484 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 83.8 p -66.53 128.32 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 128' ' ' ALA . 32.3 m -43.24 -41.44 3.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.36 -36.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 129' ' ' TYR . 4.0 t80 -81.91 -46.04 14.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -59.64 -52.75 64.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 17.5 pt-20 -43.09 -41.13 3.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.491 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 69.8 mt -62.08 -46.33 89.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.752 0.31 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.38 -47.11 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -57.1 -54.6 44.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.5 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 67.1 t -42.28 -60.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HB2' HD21 ' A' ' 133' ' ' LEU . 45.9 tttt -49.08 -42.82 40.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' TRP . 8.8 tpt180 -53.97 -46.22 71.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 51.8 m0 -38.05 -35.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.3 -145.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 50.55 34.66 9.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.99 138.25 10.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 20' ' ' ASP . 45.4 ttp -39.94 -38.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 19' ' ' MET . 28.9 m-20 -32.68 -60.03 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' ALA . 15.8 mm-40 -56.88 -62.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -36.9 -42.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' CH2' ' A' ' 48' ' ' TRP . 39.5 mt -65.59 -55.01 19.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' LEU . 2.2 mptm? -37.05 -59.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.8 t70 -73.72 141.34 79.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.1 Cg_endo -69.82 -46.64 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.217 . . . . 0.0 112.378 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.24 -48.44 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.15 -28.09 40.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -68.59 -47.15 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.6 pt-20 -73.5 -43.53 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 48.3 mm-40 -56.4 -56.97 14.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 9.9 t80 -54.48 -35.2 62.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -65.56 -54.62 25.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 37.6 mttm -35.09 -58.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 126' ' ' SER . 53.2 t80 -50.55 -48.62 57.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 32' ' ' PHE . 6.4 mp -54.35 -53.05 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -40.93 -42.83 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -61.11 -50.56 72.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.75 15.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 52.78 38.9 27.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' SER . 34.6 m -108.51 -19.95 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 30.9 p -37.01 -47.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' SER . 37.7 mt-10 -33.93 -61.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -40.03 -58.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ARG . 45.9 tp -65.73 -60.93 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' LEU . 63.5 mtt180 -35.47 -45.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.46 -51.17 64.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.558 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 9.8 t90 -50.75 -57.87 7.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.3 mt -51.99 -50.78 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.74 -43.69 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.12 -44.82 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 20.7 mm-40 -55.69 -50.1 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 54' ' ' LEU . 41.7 t0 -69.46 -40.44 77.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 67.1 tp -33.98 -56.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -51.69 -48.72 63.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . 27.3 mmtp -54.85 -41.71 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.933 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -52.31 147.37 13.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.822 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 160.84 48.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.621 2.214 . . . . 0.0 112.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.48 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 7.2 tp -53.42 -34.86 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.13 -29.81 70.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -113.52 14.46 19.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -72.55 -58.45 2.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.707 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.4 Cg_endo -69.79 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -44.05 -37.81 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.5 tpt180 -78.51 -44.9 23.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 62' ' ' VAL . 39.5 t -37.19 -65.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -58.86 -46.05 88.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -47.12 -64.66 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.6 mt -46.05 -43.19 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.576 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -72.55 -24.69 61.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.779 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.1 mt-30 -83.09 -6.24 59.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.535 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 2.1 tp10 -108.09 -50.93 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 80' ' ' SER . 47.7 m-85 -98.01 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 92' ' ' THR . 31.1 mt -71.01 17.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.17 143.5 30.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 0.0 111.112 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . 53.5 Cg_endo -69.79 162.81 40.67 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.703 2.268 . . . . 0.0 112.385 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 42.87 21.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.671 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -84.55 155.38 62.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.553 0.692 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.408 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.83 -35.78 11.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.533 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 69.5 m -109.46 17.95 20.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -51.97 116.46 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.3 pt -95.1 -176.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -130.02 127.35 39.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.1 mt -126.67 174.1 8.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -63.87 169.33 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -64.57 -59.55 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -64.55 -44.53 90.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.1 m -56.07 -61.47 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -49.84 -53.67 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -54.42 -49.82 69.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -46.65 -57.99 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.584 HG21 HD13 ' A' ' 74' ' ' LEU . 96.0 m -52.7 -54.83 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.533 HG23 ' CH2' ' A' ' 70' ' ' TRP . 22.1 m -39.04 -39.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -74.09 -46.4 43.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.433 ' HB3' HG23 ' A' ' 103' ' ' THR . 23.9 m-20 -57.06 -44.01 82.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.438 HG21 ' CE3' ' A' ' 70' ' ' TRP . 89.5 t -39.69 -45.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 96' ' ' VAL . 28.5 mmtt -34.59 -45.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -100.39 116.7 64.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 120.02 6.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -150.23 -168.0 14.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -97.93 -48.61 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.25 17.88 11.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.433 HG23 ' HB3' ' A' ' 95' ' ' ASN . 81.9 m -54.85 -43.7 73.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.6 17.58 11.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -47.14 -48.38 23.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -52.24 -63.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.72 -54.77 9.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.558 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 59.7 tt0 -46.53 -40.6 12.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -66.53 -53.74 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -49.27 -57.43 6.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 48.2 mm -61.09 -45.05 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -47.58 -57.63 5.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.494 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 22.8 mtmt -56.65 -32.54 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.6 tp -68.84 -67.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 116' ' ' LYS . 73.6 mtm -41.58 -42.25 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.494 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 26.0 mtpt -33.62 -68.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 0.3 OUTLIER -113.49 17.98 17.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 31.7 t70 -98.23 -69.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.57 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 3.2 p -89.44 -51.21 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.731 ' CE1' HD11 ' A' ' 124' ' ' ILE . 2.2 t80 -33.73 -50.12 0.8 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.677 0.751 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.57 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.3 Cg_exo -47.99 -65.95 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -39.42 -51.05 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.581 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 13.0 t80 -39.24 -56.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.816 ' H ' HD12 ' A' ' 124' ' ' ILE . 4.7 mp -61.35 -38.12 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -58.38 -55.42 35.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.56 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 8.0 t -55.78 161.11 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 128' ' ' ALA . 4.8 m -81.78 -33.13 31.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.88 -42.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.414 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 14.8 t80 -67.87 -49.51 61.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -59.54 -44.7 93.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.75 -58.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.52 -46.8 73.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 13' ' ' LYS . 4.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.428 ' HG2' ' NE2' ' A' ' 10' ' ' GLN . 35.8 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.756 0.312 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.428 ' NE2' ' HG2' ' A' ' 9' ' ' GLN . 1.9 mp0 -56.99 -41.94 79.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -52.21 -43.96 64.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.753 HG22 ' CH2' ' A' ' 15' ' ' TRP . 94.3 t -57.52 -46.57 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HB2' HD21 ' A' ' 133' ' ' LEU . 23.7 tptt -54.9 -39.8 69.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.44 ' CG ' ' OE1' ' A' ' 21' ' ' GLU . 9.4 tpt180 -49.32 -37.33 23.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.753 ' CH2' HG22 ' A' ' 12' ' ' VAL . 2.1 m0 -68.95 -25.89 64.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.49 11.3 4.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -103.35 -37.57 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.475 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 172.21 145.22 4.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' ASP . 42.4 ttp -37.75 -45.77 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' MET . 32.4 t0 -32.26 -57.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' LEU . 35.0 mm-40 -64.21 -64.0 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -34.75 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' GLU . 40.5 mt -76.6 -55.22 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 1.2 ptmm? -47.88 -37.98 15.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 19.9 m-20 -83.48 144.09 45.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.642 2.228 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.66 -52.7 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.28 -31.18 8.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -65.22 -49.83 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.8 pt-20 -72.49 -44.58 62.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 47.6 mm-40 -55.08 -57.74 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.548 ' O ' HD13 ' A' ' 36' ' ' LEU . 36.1 t80 -52.35 -36.67 54.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.5 tp -66.24 -53.22 39.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 50.8 mttt -34.62 -59.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 38' ' ' SER . 60.8 t80 -55.29 -52.84 62.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 32' ' ' PHE . 5.6 mp -41.34 -52.36 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -45.05 -38.65 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 25.5 m -66.65 -52.33 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 2.9 pt-20 -78.7 15.81 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 51.93 44.76 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' SER . 38.9 t -116.08 -17.04 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 66.1 p -35.38 -38.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' ASN . 34.8 mt-10 -55.04 -57.35 12.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.1 m-20 -36.63 -61.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.2 tp -64.96 -53.08 51.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -40.63 -42.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 51' ' ' VAL . 19.4 t80 -70.24 -42.12 72.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.577 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 28.7 t90 -61.17 -54.17 47.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.22 -50.13 67.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.07 -44.29 31.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 47' ' ' PHE . 84.8 t -63.24 -48.84 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 24.1 mm-40 -52.09 -41.73 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 54' ' ' LEU . 85.7 m-20 -77.83 -41.41 37.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' ASP . 54.1 tp -35.16 -62.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.86 -44.16 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -55.91 -40.08 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -52.83 152.44 7.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.729 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.585 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.72 160.03 51.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.357 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 tp -52.79 -28.62 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -31.35 62.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.54 9.19 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -74.42 -58.82 1.76 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.77 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.2 m -43.62 -36.17 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' VAL . 1.9 tpt180 -78.54 -41.89 30.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 62' ' ' VAL . 37.5 t -36.76 -66.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 18.4 pt20 -54.74 -47.68 73.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 78.3 mm-40 -48.26 -64.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mt -42.19 -47.37 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.602 ' CE3' ' CB ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -70.62 -31.4 68.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.81 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.5 mt-30 -76.78 -7.64 55.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.551 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 17.9 tt0 -107.69 -49.27 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 75' ' ' ALA . 16.4 m-85 -97.98 -63.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.69 HD13 HG21 ' A' ' 92' ' ' THR . 54.9 mt -71.02 18.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.81 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -114.11 141.11 25.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 111.114 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.21 50.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.82 17.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.96 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -80.76 159.05 69.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.539 0.685 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.534 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.7 Cg_endo -69.77 -43.31 2.72 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.31 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.72 17.95 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.96 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -49.97 122.4 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.5 pt -101.96 -178.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -124.3 138.65 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 74' ' ' LEU . 16.2 mt -132.7 176.17 8.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -72.39 161.89 30.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 p -63.56 -48.68 76.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 88' ' ' SER . 11.0 ptpp? -67.38 -40.73 85.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 59.1 m -66.37 -60.58 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -44.21 -45.68 8.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.91 -54.02 50.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -47.98 -46.49 32.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.69 HG21 HD13 ' A' ' 74' ' ' LEU . 98.1 m -61.37 -62.04 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.0 m -40.46 -42.51 1.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.54 -43.28 85.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' VAL . 10.4 m-20 -64.38 -46.52 82.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LYS . 88.5 t -35.76 -39.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -34.57 -50.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -112.65 111.3 51.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 132.13 22.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.1 -137.83 3.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -117.8 -34.86 4.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -112.48 17.67 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 98.2 m -55.86 -39.04 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -97.51 17.51 17.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -52.23 -50.12 62.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.07 -58.36 7.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.26 -59.04 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.577 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 50.4 tt0 -44.57 -39.77 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -69.57 -49.68 51.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -48.94 -56.04 10.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.463 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 45.8 mm -61.4 -49.67 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.409 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 37.0 t80 -43.07 -62.84 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.486 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 41.4 mtmt -49.95 -39.2 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.546 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER -63.08 -66.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 116' ' ' LYS . 74.1 mtm -39.57 -45.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 8.6 mtpm? -33.23 -69.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.47 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.6 t -108.4 18.93 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.546 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 7.9 t0 -98.01 -70.88 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.607 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.1 t -92.16 -53.51 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.535 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 1.2 t80 -32.5 -49.84 0.56 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.738 0.78 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.607 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.6 Cg_exo -48.03 -59.62 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.234 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 123' ' ' PHE . 50.0 mmt-85 -47.18 -52.33 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 122' ' ' ARG . 5.5 t80 -35.22 -47.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 124' ' ' ILE . 5.0 mp -67.77 -50.07 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -48.41 -42.84 33.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 p -73.64 155.56 38.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' ALA . 5.8 m -80.29 -30.0 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.39 -44.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -75.08 -45.67 39.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -54.69 -48.62 72.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -40.55 -48.35 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.2 mp -54.57 -46.53 73.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 13' ' ' LYS . 12.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.71 0.291 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -61.64 -46.34 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -55.52 -55.82 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.526 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 94.2 t -42.57 -57.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -39.01 -45.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 16.0 mtt180 -52.64 -46.11 66.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.526 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 24.7 m0 -48.62 -28.57 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.26 28.96 2.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 19.1 m-85 -116.38 15.34 15.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.17 151.08 9.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' ASP . 20.5 ttp -43.78 -48.62 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' MET . 2.4 t70 -34.71 -65.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.3 -50.84 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.79 -45.64 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD13 ' CH2' ' A' ' 48' ' ' TRP . 8.2 mt -67.22 -49.54 64.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' LEU . 16.1 mmtm -34.22 -62.07 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.459 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 19.9 t70 -69.5 141.78 91.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.0 Cg_endo -69.81 -45.32 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.17 -44.67 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.9 -29.55 59.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -64.58 -48.68 74.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -73.53 -41.64 62.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -58.02 -58.88 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.554 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 25.9 t80 -54.9 -33.2 61.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.3 tp -65.71 -55.91 14.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . 36.0 mttt -34.84 -56.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 49.3 t80 -51.46 -39.92 58.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 33' ' ' LEU . 44.4 mt -57.26 -61.04 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -37.15 -43.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -56.26 -54.68 42.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.599 ' OE2' ' CE2' ' A' ' 35' ' ' PHE . 15.3 pt-20 -82.29 11.26 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 55.71 39.02 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.403 ' CB ' ' HG3' ' A' ' 39' ' ' GLU . 81.3 p -117.33 17.26 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -69.52 -38.94 77.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HG3' HG22 ' A' ' 82' ' ' ILE . 5.9 pt-20 -45.19 -50.84 11.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -44.51 -43.14 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.61 -49.43 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' HD2' HH11 ' A' ' 46' ' ' ARG . 0.9 OUTLIER -43.13 -47.49 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -43.42 92.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.566 ' CH2' HD13 ' A' ' 23' ' ' LEU . 29.6 t90 -57.55 -50.16 74.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.09 -52.32 56.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.06 -46.0 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.513 HG11 ' OE1' ' A' ' 108' ' ' GLN . 89.7 t -62.64 -53.92 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -45.89 -37.12 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 56' ' ' LYS . 22.9 t70 -83.55 -42.07 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 53' ' ' ASP . 42.4 tp -32.33 -64.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -47.71 -42.3 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 53' ' ' ASP . 11.7 mmpt? -56.63 -40.8 76.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -53.64 150.04 14.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.702 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.717 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.2 Cg_endo -69.79 166.18 28.48 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.028 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.2 -31.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.13 -30.78 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -114.21 10.51 17.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.0 t -73.49 -58.22 2.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.1 Cg_endo -69.75 -51.47 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.1 m -42.11 -36.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -78.37 -41.81 32.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ARG . 43.3 t -35.05 -67.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.05 -45.23 87.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.9 mm-40 -50.87 -66.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.6 mt -40.88 -39.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.538 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.56 -32.11 57.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 1.009 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 26.8 mt-30 -81.51 -4.24 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 27.7 tt0 -96.2 -47.22 6.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 80' ' ' SER . 2.7 m-85 -117.92 -37.99 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.643 HD13 HG21 ' A' ' 92' ' ' THR . 28.2 mt -84.25 17.95 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.009 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -111.06 150.87 42.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 111.075 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.49 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.64 45.24 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -109.39 154.67 42.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 16.5 m -90.87 18.01 7.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -46.14 112.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' A' ' 73' ' ' PHE . 6.7 pt -95.11 -177.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -125.67 133.1 52.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.1 mt -129.8 174.01 10.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -66.07 176.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.9 p -79.47 -49.19 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -69.84 -41.95 74.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.487 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 45.6 m -61.4 -60.75 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -44.42 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -41.3 -58.21 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -49.53 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.643 HG21 HD13 ' A' ' 74' ' ' LEU . 89.1 m -53.7 -56.9 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.3 m -44.12 -43.4 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -71.4 -44.1 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.521 ' HB3' HG23 ' A' ' 103' ' ' THR . 79.1 m-20 -57.77 -47.8 81.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 92' ' ' THR . 88.8 t -40.24 -44.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -39.45 -45.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -98.48 113.64 64.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 122.31 8.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.22 -161.88 10.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -105.92 -36.6 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -103.1 16.65 26.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 95' ' ' ASN . 75.2 m -56.2 -35.86 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.421 ' CE1' HD12 ' A' ' 74' ' ' LEU . 83.9 m-85 -104.22 17.29 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -54.56 -42.46 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -64.15 -67.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.85 -49.41 29.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.513 ' OE1' HG11 ' A' ' 51' ' ' VAL . 33.2 tt0 -55.51 -36.92 67.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.518 ' O ' ' CD ' ' A' ' 113' ' ' LYS . 1.7 tt0 -69.3 -36.85 77.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 113' ' ' LYS . 16.0 t60 -59.87 -55.98 27.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.409 HG22 ' CE ' ' A' ' 115' ' ' MET . 41.3 mm -53.58 -31.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 17.1 t80 -58.08 -62.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.518 ' CD ' ' O ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -54.5 -15.03 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.2 tp -89.97 -71.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.421 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 37.2 mtm -43.03 -37.87 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.531 ' HG3' ' N ' ' A' ' 117' ' ' SER . 6.4 ptmm? -54.01 -45.21 71.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.531 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 3.3 m -117.78 14.2 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 114' ' ' LEU . 17.4 t70 -103.34 -63.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.567 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.9 m -95.61 -50.69 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.799 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.547 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 1.7 t80 -37.73 -48.42 2.69 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.667 0.746 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.567 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.2 Cg_exo -47.96 -55.49 3.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -64.38 -43.96 92.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 79.7 t80 -45.27 -39.16 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.6 mm -65.84 -39.78 85.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 121' ' ' PRO . 3.8 mpt_? -67.82 -47.09 70.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.5 p -52.06 161.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 128' ' ' ALA . 1.4 t -77.83 -36.11 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.79 -35.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -81.14 -44.5 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' GLU . 39.1 mm-40 -62.17 -55.14 31.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 8.3 pt-20 -36.72 -38.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.503 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 23.1 mt -65.99 -50.19 65.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.906 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 133' ' ' LEU . 39.1 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.755 0.312 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.77 -41.68 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 11' ' ' ARG . 9.9 ttt180 -58.82 -55.88 29.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 87.2 t -41.48 -40.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -52.7 -49.2 65.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 30.4 mmt-85 -39.78 -52.97 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.575 ' CZ3' HG22 ' A' ' 12' ' ' VAL . 1.4 m0 -56.93 -42.01 79.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.33 -27.34 2.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -67.47 -47.03 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 120' ' ' TYR . . . 176.72 169.06 37.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.4 ' HG2' HD11 ' A' ' 23' ' ' LEU . 9.7 ttp -50.07 -46.21 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -41.63 -58.53 1.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 9.7 mm-40 -64.49 -26.01 68.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.473 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -76.25 -31.02 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.638 HD22 ' CZ3' ' A' ' 48' ' ' TRP . 10.8 mt -81.75 -55.19 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 16.8 ptmt -38.17 -38.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -87.66 143.61 34.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.572 0.701 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.86 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.03 -45.09 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -28.34 51.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.665 HH21 HD13 ' A' ' 49' ' ' LEU . 36.4 mtp180 -66.87 -51.35 56.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.7 pt-20 -70.66 -44.4 67.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 59.4 mm-40 -55.41 -60.79 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 4.6 t80 -54.72 -34.01 61.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.597 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.4 tp -64.53 -57.43 9.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 21.4 mttm -34.32 -63.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 25.8 t80 -42.71 -44.71 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 33' ' ' LEU . 48.1 mt -56.66 -51.9 66.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -39.08 -39.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 40.2 m -58.18 -61.9 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.573 ' OE2' ' CE2' ' A' ' 35' ' ' PHE . 11.0 pm0 -71.19 2.96 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 57.98 41.29 24.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' SER . 79.9 p -110.9 -20.78 12.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . 69.2 p -36.6 -41.46 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' SER . 24.6 pt-20 -37.03 -46.39 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 15.2 m-20 -55.42 -50.98 68.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' TRP . 53.0 tp -69.06 -58.65 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' LEU . 62.2 mtt180 -35.42 -47.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 1.3 t80 -64.39 -43.05 95.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.638 ' CZ3' HD22 ' A' ' 23' ' ' LEU . 57.4 t90 -56.82 -54.05 50.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.665 HD13 HH21 ' A' ' 29' ' ' ARG . 48.0 mt -57.55 -41.96 82.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.03 -43.0 66.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.466 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 85.5 t -58.98 -48.38 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 65.9 mm-40 -58.14 -54.86 42.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.4 t70 -58.99 -45.69 89.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASP . 22.9 tp -37.62 -57.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -46.8 -48.46 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -52.45 -45.45 66.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -52.03 141.45 29.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.468 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.2 Cg_endo -69.67 165.15 31.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.7 tp -51.51 -30.46 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -67.7 -30.22 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -115.03 12.82 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.555 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -76.34 -56.55 1.5 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 -55.91 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.284 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.5 p -40.56 -36.89 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.4 tpp180 -77.89 -47.03 19.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 62' ' ' VAL . 38.1 t -32.84 -68.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.43 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 16.3 pt20 -55.78 -47.9 76.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.9 mm-40 -49.26 -62.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.7 mt -49.62 -41.15 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.526 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.74 -19.69 61.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.924 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 25.0 mt-30 -92.45 -2.51 56.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.531 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 22.0 tt0 -98.97 -45.22 6.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD2' ' CB ' ' A' ' 80' ' ' SER . 0.8 OUTLIER -118.02 -40.98 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.526 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 31.6 mt -82.14 17.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.924 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.14 151.18 46.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -53.19 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -91.42 53.29 3.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -123.31 155.18 65.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.78 -52.3 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.578 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 11.7 m -85.22 18.01 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.87 104.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 80' ' ' SER . 31.9 pt -91.47 -178.01 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -127.58 131.18 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -122.5 153.4 39.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -58.63 145.68 38.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -47.9 -39.53 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -68.37 -60.51 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 m -52.92 -57.13 11.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -46.53 -56.75 5.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -44.23 -50.78 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -59.32 -55.89 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 96' ' ' VAL . 89.5 m -50.89 -62.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 m -41.44 -40.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -72.37 -43.26 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -60.5 -43.85 96.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 97' ' ' LYS . 83.5 t -41.62 -42.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 96' ' ' VAL . 9.3 mptt -32.1 -49.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 98' ' ' GLU . 2.0 pp20? -110.33 112.24 57.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 127.67 14.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.01 -138.87 3.28 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -117.97 -34.58 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -104.09 17.29 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.0 m -54.41 -46.44 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -99.93 17.86 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.89 -42.7 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -64.91 -64.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.9 -46.84 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.491 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 51.8 tt0 -51.58 -38.59 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.492 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 26.2 tt0 -71.46 -46.22 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -53.03 -55.37 24.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.518 HG22 ' CE ' ' A' ' 115' ' ' MET . 47.8 mm -60.18 -42.78 91.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.4 t80 -55.61 -56.14 23.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.502 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.0 mtmp? -56.1 -13.59 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.591 HD11 ' OD2' ' A' ' 118' ' ' ASP . 1.9 tp -94.89 -69.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.518 ' CE ' HG22 ' A' ' 111' ' ' ILE . 62.0 mtm -42.92 -36.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 117' ' ' SER . 13.9 ptmt -48.79 -50.22 35.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.52 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 33.7 t -117.94 15.94 14.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.591 ' OD2' HD11 ' A' ' 114' ' ' LEU . 11.2 t70 -105.28 -59.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.563 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 12.1 p -94.75 -54.54 3.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.81 ' O ' HD12 ' A' ' 124' ' ' ILE . 2.9 t80 -35.22 -49.86 1.21 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.659 0.742 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.563 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.9 Cg_exo -47.94 -55.86 3.63 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.718 2.278 . . . . 0.0 112.375 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.463 HH11 ' HD2' ' A' ' 122' ' ' ARG . 10.8 mmt180 -56.79 -42.56 79.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 7.8 t80 -45.73 -47.96 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.81 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.2 mp -59.29 -43.61 90.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.07 -42.36 89.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.6 t -60.05 142.61 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 8.7 t -64.26 -39.53 94.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.45 -40.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.445 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 3.4 t80 -76.79 -45.98 26.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -59.9 -55.62 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 7.9 pt-20 -40.19 -42.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.566 ' HB3' HG21 ' A' ' 12' ' ' VAL . 32.5 mt -58.9 -50.81 72.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.45 ' O ' ' CD ' ' A' ' 9' ' ' GLN . 11.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -55.45 -49.93 71.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 11' ' ' ARG . 35.6 ttp180 -57.62 -35.63 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 77.6 t -59.67 -61.1 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' TRP . 2.5 ttpm? -50.49 -47.61 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' LYS . 13.7 mmt-85 -37.02 -32.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 11.3 m0 -66.4 -51.06 60.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -43.12 -19.52 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' TRP . 90.2 m-85 -76.44 13.71 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.383 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.54 161.44 11.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.543 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.538 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 26.7 ttp -61.62 -44.09 97.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -37.87 -42.31 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -70.52 -40.77 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -67.43 -35.97 80.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.946 HD13 ' CH2' ' A' ' 48' ' ' TRP . 58.5 mt -65.8 -53.53 39.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 10.8 pttt -51.82 -30.37 23.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.489 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 38.2 m-20 -96.18 143.68 26.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 0.0 110.849 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.78 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.629 2.219 . . . . 0.0 112.377 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 94.7 t -62.71 -61.91 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.99 -30.14 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 26' ' ' PRO . 6.8 mtp-105 -65.06 -49.94 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 10.7 pt-20 -69.58 -44.62 70.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 19.1 mm100 -50.9 -60.75 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 35.9 t80 -54.64 -40.55 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.5 tp -58.49 -55.48 34.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LEU . 39.0 mttt -36.77 -61.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -49.05 -51.08 33.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 8.0 mp -51.46 -57.68 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -40.67 -46.56 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -56.97 -48.04 79.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.615 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.8 pt-20 -83.61 15.7 3.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.615 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER 50.75 45.7 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.1 m -118.01 -18.55 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.401 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 24.5 p -41.96 -34.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -46.2 -41.86 13.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -57.93 -54.15 50.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' TRP . 60.2 tp -67.79 -58.28 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LEU . 6.5 mtp-105 -34.4 -41.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.508 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 10.6 t80 -70.61 -46.64 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.946 ' CH2' HD13 ' A' ' 23' ' ' LEU . 55.0 t90 -50.42 -58.15 6.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.36 -45.08 84.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.61 -41.22 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.33 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.25 -46.83 82.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' LEU . 8.1 m-20 -72.73 -41.11 65.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' ASP . 28.7 tp -36.78 -66.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 0.6 OUTLIER -51.54 -42.13 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -58.9 -37.18 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' NH1' ' HD3' ' A' ' 65' ' ' ARG . 17.9 mmt85 -53.45 149.44 14.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.587 ' O ' HG23 ' A' ' 62' ' ' VAL . 52.9 Cg_endo -69.82 161.71 44.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.929 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -52.23 -36.34 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -66.47 -28.91 68.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -115.35 14.64 16.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -78.94 -58.34 0.71 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.77 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -48.06 -37.3 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' VAL . 7.4 tpt180 -75.42 -45.65 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.506 HG21 ' HA ' ' A' ' 99' ' ' PRO . 17.2 t -33.45 -61.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 13.5 pt20 -60.78 -49.88 75.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 60.6 mm-40 -44.35 -62.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.7 mt -48.96 -43.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.681 ' CE3' HG21 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -71.16 -19.57 62.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.926 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 36.3 mt-30 -93.74 -2.61 53.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.1 tp10 -97.37 -47.65 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -117.98 -37.96 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 70' ' ' TRP . 21.1 mt -83.54 17.99 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.926 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.1 149.55 43.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -53.2 0.28 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.57 43.74 3.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -114.51 154.98 46.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.548 0.69 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.78 -51.73 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 5.8 m -86.0 17.98 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -45.85 107.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' A' ' 73' ' ' PHE . 11.5 pt -91.95 -178.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -129.54 136.89 50.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 111' ' ' ILE . 36.8 mt -130.45 171.38 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -70.39 167.72 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.5 t -67.6 -43.98 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -70.03 -42.76 72.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.3 m -68.28 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -42.62 -53.85 4.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -49.53 -61.96 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -44.89 -49.15 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 96' ' ' VAL . 92.6 m -60.58 -59.24 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.421 HG23 ' CH2' ' A' ' 70' ' ' TRP . 22.9 m -38.19 -45.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -70.86 -48.65 52.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.567 ' HB3' HG23 ' A' ' 103' ' ' THR . 23.8 m-20 -53.39 -40.65 65.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.681 HG21 ' CE3' ' A' ' 70' ' ' TRP . 91.8 t -44.51 -56.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.486 ' N ' ' HE2' ' A' ' 97' ' ' LYS . 0.6 OUTLIER -34.94 -36.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' VAL . 13.6 mt-10 -95.37 106.14 24.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.678 0.751 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.506 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.4 Cg_endo -69.81 114.03 3.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.88 -150.85 5.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 41.3 mtm180 -116.09 -37.0 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 105' ' ' GLU . 11.8 m-85 -109.7 17.81 20.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.567 HG23 ' HB3' ' A' ' 95' ' ' ASN . 88.6 m -54.78 -33.42 61.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -98.92 18.01 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 56.9 tt0 -52.74 -53.46 47.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -53.67 -60.83 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 110' ' ' HIS . . . -46.97 -60.14 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.52 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 60.1 tt0 -39.82 -39.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -72.66 -40.97 65.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' ALA . 19.9 t60 -57.99 -52.46 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.461 HD11 HD21 ' A' ' 84' ' ' LEU . 29.1 mm -62.26 -42.51 95.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 6.1 t80 -54.42 -57.49 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 44.6 mtmt -55.89 -16.38 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.549 HD11 ' OD1' ' A' ' 118' ' ' ASP . 0.6 OUTLIER -90.85 -72.75 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.465 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 35.3 mtm -41.02 -43.64 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.9 ptmt -42.05 -46.64 4.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.506 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 32.3 t -117.18 17.51 14.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.549 ' OD1' HD11 ' A' ' 114' ' ' LEU . 1.3 t70 -98.55 -64.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.565 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -97.93 -52.51 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -32.9 -50.78 0.63 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.945 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.8 Cg_exo -48.01 -59.85 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mtp-105 -68.07 -43.85 77.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.2 -48.95 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 53.4 mt -56.44 -43.72 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.17 -41.46 98.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.5 t -59.64 136.98 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' ALA . 32.7 t -53.11 -35.46 59.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.05 -42.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -68.72 -49.78 56.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' GLU . 39.1 mm-40 -59.9 -38.55 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' GLN . 6.7 mm-40 -35.19 -45.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.543 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.4 mm? -68.63 -50.1 54.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.927 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.767 0.318 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -66.46 -44.6 82.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -51.95 -45.54 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 15' ' ' TRP . 81.3 t -50.15 -59.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -40.33 -40.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -51.8 -42.33 62.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 12' ' ' VAL . 5.8 m0 -57.91 -21.76 45.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.83 34.94 1.64 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.553 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -141.48 102.39 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.59 -166.85 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' ASP . 8.5 ttp -92.02 -44.26 8.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.77 0.319 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' MET . 2.0 m-20 -36.64 -51.15 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.4 -61.29 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.42 -41.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.514 HD13 ' CH2' ' A' ' 48' ' ' TRP . 8.1 mt -71.07 -50.61 31.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' LEU . 6.6 mtpm? -36.09 -62.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.97 143.65 96.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -50.1 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.7 -43.09 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.38 -26.82 59.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -69.07 -47.24 65.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.743 0.306 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.9 pt-20 -73.04 -46.92 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 40.4 mm-40 -54.84 -57.69 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 49.7 t80 -55.3 -39.01 69.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 36' ' ' LEU . 1.1 tp -60.5 -57.09 14.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 51.3 mttt -34.46 -60.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -46.44 -43.6 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 33' ' ' LEU . 56.8 mt -55.24 -60.72 3.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' OE2' ' NH2' ' A' ' 46' ' ' ARG . 62.5 mt-10 -36.86 -41.65 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -57.77 -56.61 19.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -74.29 4.56 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 52.39 44.23 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.442 ' O ' ' OD1' ' A' ' 44' ' ' ASN . 67.3 m -116.91 -24.22 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 43' ' ' GLU . 19.6 p -41.41 -31.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.531 ' HG3' HG22 ' A' ' 82' ' ' ILE . 5.4 pt-20 -33.29 -38.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.481 ' HB2' ' CG2' ' A' ' 111' ' ' ILE . 0.8 OUTLIER -72.62 -58.53 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -49.51 -46.37 48.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' NH2' ' OE2' ' A' ' 37' ' ' GLU . 15.5 mmt180 -46.49 -59.42 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.588 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.3 t80 -58.46 -44.81 89.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.514 ' CH2' HD13 ' A' ' 23' ' ' LEU . 69.0 t90 -49.91 -49.33 50.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.3 -44.85 74.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.96 -41.82 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' GLU . 60.8 t -58.74 -60.52 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' VAL . 59.1 mm-40 -37.0 -51.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -62.86 -52.35 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 63.6 tp -33.03 -49.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HB2' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -59.59 -47.86 83.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 20.2 mmmt -64.62 -35.63 81.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.28 147.52 13.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.419 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.7 158.73 56.01 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.5 tp -52.42 -34.45 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -64.15 -30.67 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -111.6 13.3 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.51 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.92 -58.58 2.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.78 -52.4 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.4 m -43.28 -34.45 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 4.5 tpt180 -79.77 -46.63 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 99' ' ' PRO . 36.1 t -33.74 -64.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 21.4 pt20 -61.79 -47.53 84.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 40.0 mm-40 -44.95 -63.53 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.5 mt -49.19 -40.83 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.609 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.65 -16.54 59.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.901 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.1 mt-30 -92.69 -1.95 56.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' HG2' ' A' ' 79' ' ' PRO . 8.4 tp10 -112.99 -35.4 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 18.2 m-85 -115.22 -49.46 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 52.8 mt -84.03 17.96 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.901 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.26 142.65 29.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 111.165 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.34 69.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.312 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.36 6.72 8.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.449 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -73.92 158.56 85.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.529 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.5 Cg_endo -69.75 -49.55 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.501 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 9.8 m -99.71 17.53 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.763 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -46.38 102.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.531 HG22 ' HG3' ' A' ' 43' ' ' GLU . 32.7 pt -80.55 179.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.07 130.67 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mt -129.79 158.34 39.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.412 ' OD2' ' CE1' ' A' ' 110' ' ' HIS . 1.6 m-20 -57.84 165.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.8 t -66.39 -46.05 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -64.71 -41.66 95.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -70.36 -53.12 17.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -56.89 -50.51 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.59 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 3.2 m-20 -50.27 -54.61 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -54.02 -61.41 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 96' ' ' VAL . 94.4 m -42.53 -55.74 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 m -48.66 -59.29 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 90' ' ' ASP . 91.5 m-70 -49.11 -30.34 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.78 ' HB3' HG23 ' A' ' 103' ' ' THR . 38.3 m-20 -84.74 -34.9 22.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.545 HG21 ' CE3' ' A' ' 70' ' ' TRP . 52.2 t -40.87 -65.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -33.01 -36.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 96' ' ' VAL . 5.1 mm-40 -93.52 107.12 24.25 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.696 0.76 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.491 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.81 119.76 6.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.27 -153.39 5.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -116.01 -32.68 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -110.08 17.98 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 95' ' ' ASN . 77.6 m -56.13 -40.1 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -99.34 17.26 20.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -52.93 -61.43 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -46.93 -55.48 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.99 -51.98 37.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -44.44 -37.32 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.457 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 15.2 tt0 -71.23 -49.03 47.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.412 ' CE1' ' OD2' ' A' ' 85' ' ' ASP . 9.2 t60 -49.0 -48.62 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 44' ' ' ASN . 45.7 mm -66.94 -40.9 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 2.3 t80 -55.31 -51.75 65.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.497 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.2 mtmp? -62.43 -10.93 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.587 HD11 ' OD2' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -94.83 -64.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 38.1 mtm -51.09 -30.29 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.7 ptmt -55.56 -45.28 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.5 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.9 t -116.11 17.82 15.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.587 ' OD2' HD11 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -106.35 -62.84 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.564 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 74.7 m -95.6 -54.47 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.604 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 17.5 t80 -34.91 -49.98 1.08 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.654 0.74 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.604 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 66.2 Cg_exo -48.03 -63.18 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 125' ' ' ARG . 60.7 mtt180 -57.76 -48.55 79.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 73.6 t80 -40.76 -47.51 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 51.0 mm -58.96 -36.93 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.5 ' HD2' ' N ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -75.56 -42.4 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.6 t -55.21 155.41 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.3 m -83.14 -33.73 26.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -36.61 -41.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 123' ' ' PHE . 8.8 t80 -67.56 -50.13 59.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 131' ' ' GLU . 33.4 mm-40 -59.35 -36.95 76.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 130' ' ' GLN . 13.1 mm-40 -36.95 -51.97 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.807 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.7 mm? -64.76 -48.64 73.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.844 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.719 0.295 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -60.6 -43.69 97.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -56.75 -49.39 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.95 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 99.5 t -48.32 -59.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' TRP . 3.2 ttpm? -44.24 -45.88 8.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.455 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 7.6 tpt85 -37.58 -31.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.95 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 4.1 m0 -73.38 -56.72 4.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -36.54 -34.97 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 14' ' ' ARG . 59.1 m-85 -46.7 -44.9 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.606 ' HA2' ' CE1' ' A' ' 120' ' ' TYR . . . 176.38 156.37 15.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' ASP . 28.8 ttp -48.58 -59.77 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' MET . 10.0 m-20 -32.11 -39.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' MET . 5.8 mm-40 -80.62 -59.28 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -43.95 -36.54 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.71 HD13 ' CH2' ' A' ' 48' ' ' TRP . 46.9 mt -64.59 -56.65 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 2.1 pttt -39.08 -36.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.496 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 13.5 t70 -87.93 140.94 31.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.848 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.77 -46.69 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.79 -47.26 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.61 -28.06 64.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -66.13 -47.95 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.05 -41.19 62.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -56.97 -58.28 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 50.9 t80 -53.4 -36.49 61.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.2 tp -62.65 -57.46 10.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 36.4 mttm -36.97 -57.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 32.6 t80 -49.33 -54.72 15.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 32' ' ' PHE . 58.2 mt -47.73 -55.84 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' LEU . 18.7 mt-10 -34.3 -42.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 35' ' ' PHE . 15.2 t -57.69 -55.49 34.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.6 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.3 pm0 -80.11 17.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER 49.68 32.37 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 t -105.17 -14.39 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.505 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 86.1 p -42.02 -38.55 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -50.89 -41.41 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.529 ' O ' HG21 ' A' ' 111' ' ' ILE . 45.9 m-20 -49.02 -51.43 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 46' ' ' ARG . 15.5 tp -77.25 -45.75 25.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 8.5 mmm180 -37.32 -61.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 51' ' ' VAL . 5.8 t80 -52.18 -46.17 65.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.71 ' CH2' HD13 ' A' ' 23' ' ' LEU . 16.6 t90 -52.11 -60.02 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.5 mt -55.34 -45.56 76.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.72 -42.37 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 47' ' ' PHE . 90.0 t -70.21 -56.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.431 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 5.7 mm-40 -44.13 -44.41 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.3 t70 -80.56 -42.61 22.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' ' 65' ' ' ARG . 23.4 tp -34.48 -63.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -46.7 -45.59 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 32.3 mmtp -51.73 -42.8 62.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 4.9 mmp_? -51.94 153.31 4.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.675 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 166.09 28.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.05 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.67 -29.87 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -69.39 -30.77 68.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -113.14 11.87 18.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -76.46 -58.96 1.1 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.503 ' N ' HG12 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.73 -50.65 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.6 m -44.99 -38.68 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HB3' HD13 ' A' ' 54' ' ' LEU . 3.0 tpt180 -78.2 -45.36 23.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 62' ' ' VAL . 25.1 t -34.62 -63.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 12.2 pt20 -59.6 -52.83 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 7.5 mm-40 -41.79 -58.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.0 mt -51.3 -50.02 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.692 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.59 -12.67 61.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.899 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 27.9 mt-30 -94.39 -3.68 49.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -115.31 -37.89 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 30.0 m-85 -111.65 -46.32 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.692 HD12 ' HB2' ' A' ' 70' ' ' TRP . 19.8 mt -89.76 21.63 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -118.07 142.83 31.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 111.102 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 153.37 68.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.33 13.23 9.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.874 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -78.9 157.5 76.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.9 Cg_endo -69.72 -42.21 3.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.5 p -108.0 17.94 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.874 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -49.76 109.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.6 pt -83.41 -179.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -128.59 139.78 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.5 mt -134.68 175.97 9.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.467 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 7.4 t0 -73.7 164.38 26.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -65.15 -42.36 93.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -71.37 -42.88 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -65.86 -58.28 5.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -45.4 -47.64 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.96 -52.02 53.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -53.55 -49.47 67.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.603 HG21 HD13 ' A' ' 74' ' ' LEU . 72.6 m -58.1 -65.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.1 m -37.83 -56.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -59.9 -46.42 89.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.558 ' CG ' HG23 ' A' ' 103' ' ' THR . 7.4 t-20 -56.52 -40.41 74.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 92' ' ' THR . 65.7 t -44.4 -44.56 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 96' ' ' VAL . 2.6 mptm? -33.45 -49.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -112.23 114.13 51.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.92 13.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.54 -141.62 3.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -117.43 -35.16 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -109.05 17.96 21.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.558 HG23 ' CG ' ' A' ' 95' ' ' ASN . 52.9 m -56.07 -37.02 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -99.95 17.25 21.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.36 -53.62 42.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -51.47 -65.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.61 -51.33 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.452 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 52.3 tt0 -49.86 -39.0 37.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.413 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 25.3 tt0 -73.94 -44.18 55.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.467 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 64.0 t60 -53.75 -47.54 70.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 44' ' ' ASN . 48.0 mm -67.14 -49.12 75.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 69.2 t80 -44.78 -62.21 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 18.1 mtmt -48.52 -36.49 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.0 tp -66.44 -65.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 116' ' ' LYS . 69.4 mtm -43.98 -41.02 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 120' ' ' TYR . 25.3 mtpt -33.63 -67.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 17.3 t -114.25 18.01 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 28.9 t70 -97.97 -68.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.547 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 3.0 p -92.76 -48.48 6.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.656 ' CZ ' HD11 ' A' ' 124' ' ' ILE . 3.4 t80 -36.18 -49.62 1.68 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.547 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.5 Cg_exo -48.06 -56.4 3.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 125' ' ' ARG . 22.6 mmm-85 -55.12 -52.55 62.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.581 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 42.6 t80 -36.2 -53.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.656 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 82.1 mt -61.6 -41.24 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 122' ' ' ARG . 19.3 mmm180 -58.27 -49.58 76.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 m -60.59 175.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 128' ' ' ALA . 21.8 m -94.37 -29.81 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.69 -40.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -73.26 -48.87 31.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -57.92 -34.87 70.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -38.75 -64.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.808 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.3 mm? -48.0 -52.87 18.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.869 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' OE1' ' NE2' ' A' ' 10' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.762 0.315 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.414 ' CD ' ' H ' ' A' ' 10' ' ' GLN . 2.0 mp0 -50.94 -36.44 38.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -72.38 -40.41 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.583 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 82.7 t -57.83 -60.46 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . 20.8 tptm -40.91 -43.31 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -45.58 -41.61 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.583 ' CZ3' HG22 ' A' ' 12' ' ' VAL . 3.7 m0 -65.97 -29.25 69.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -77.9 33.27 1.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -117.94 -34.06 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.94 148.37 5.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.4 ttp -38.3 -50.32 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -40.27 -51.97 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.23 -59.39 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.85 -42.87 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.583 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 18.0 mt -65.62 -47.15 76.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -44.92 -51.59 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.93 142.1 72.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.652 0.739 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.254 . . . . 0.0 112.305 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.1 t -65.75 -39.76 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.87 -25.65 67.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.404 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 11.8 mtm180 -68.57 -48.25 64.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 9.1 pt-20 -71.9 -44.19 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 46.7 mm-40 -52.7 -59.89 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -53.77 -36.58 62.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.52 -54.65 36.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -39.57 -54.32 2.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 123' ' ' PHE . 55.0 t80 -51.29 -44.52 61.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 119' ' ' SER . 60.6 mt -55.69 -55.58 30.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -38.66 -46.66 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -54.28 -55.76 25.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.614 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.2 pt-20 -81.28 15.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.614 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 50.55 40.3 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.4 m -117.8 17.29 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.1 p -68.5 -42.65 78.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' ASN . 56.1 mt-10 -40.83 -58.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' GLU . 28.1 m-20 -35.92 -58.63 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 46' ' ' ARG . 44.1 tp -69.63 -56.84 6.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 45' ' ' LEU . 16.8 mtp85 -36.85 -44.81 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.492 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 4.5 t80 -65.34 -56.85 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.583 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 10.5 t90 -43.33 -54.59 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.4 mt -53.94 -46.34 71.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.11 -45.23 32.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.46 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 87.4 t -64.67 -50.65 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -44.26 -40.48 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -82.22 -39.59 22.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 69' ' ' ILE . 48.3 tp -36.63 -65.14 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -51.66 -40.25 59.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -61.52 -39.14 89.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 30.0 mmt180 -53.08 148.24 15.13 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.84 160.13 50.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 tp -51.19 -31.82 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -67.57 -30.09 69.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -115.46 10.61 15.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.516 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.12 -58.33 3.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.652 0.739 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.76 -51.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 m -45.27 -34.22 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.5 tpt180 -80.71 -40.56 25.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 62' ' ' VAL . 38.1 t -36.3 -67.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 19.4 pt20 -57.02 -47.06 81.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLN . 61.9 mm-40 -48.88 -68.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.441 ' CD1' HD13 ' A' ' 54' ' ' LEU . 18.2 mt -43.09 -38.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.61 ' CH2' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -75.35 -31.27 60.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.945 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 41.1 mt-30 -82.18 -2.73 53.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 23.4 tt0 -95.89 -52.96 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.687 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -111.79 -38.19 4.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 104' ' ' PHE . 49.8 mt -82.89 17.99 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.945 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -114.75 144.77 32.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 111.088 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.07 38.91 3.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.643 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -108.28 158.02 34.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.2 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.383 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.63 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 5.6 m -92.78 17.98 9.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 73' ' ' PHE . . . -47.39 109.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.687 HG23 ' HB3' ' A' ' 73' ' ' PHE . 6.9 pt -91.06 -177.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -126.1 118.35 25.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.3 mt -113.34 159.31 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.16 176.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.0 p -76.04 -38.23 57.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -74.88 -56.04 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 t -53.63 -52.89 58.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.05 -47.13 84.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -57.33 -51.62 68.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -60.94 -45.45 94.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' THR . 91.9 m -62.77 -63.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.61 HG23 ' CH2' ' A' ' 70' ' ' TRP . 58.8 m -34.68 -54.98 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -60.89 -55.26 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -46.95 -44.44 20.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.655 HG22 ' CE1' ' A' ' 104' ' ' PHE . 92.1 t -42.19 -43.13 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' VAL . 22.0 mmtt -35.31 -42.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -104.38 114.74 63.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 129.72 18.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.23 -147.68 4.65 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -115.4 -37.32 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -109.44 17.42 21.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.7 m -53.91 -42.33 68.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.655 ' CE1' HG22 ' A' ' 96' ' ' VAL . 87.3 m-85 -95.53 17.91 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -51.61 -57.32 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.03 -64.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.02 -42.6 60.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.46 ' NE2' ' HB ' ' A' ' 51' ' ' VAL . 6.3 tp60 -56.61 -42.61 79.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.414 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 14.5 tt0 -68.62 -42.84 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -51.88 -60.17 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 46.2 mm -55.13 -44.33 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 5.4 t80 -52.99 -57.85 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.428 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 7.5 mtmp? -55.91 -16.29 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.511 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 2.2 tp -92.72 -68.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.418 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 61.2 mtm -41.94 -39.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 117' ' ' SER . 7.0 ptmm? -48.64 -50.14 34.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.525 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 2.8 m -117.34 17.6 14.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.511 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -102.65 -60.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.574 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 18.0 m -96.87 -54.17 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.554 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -33.99 -50.07 0.86 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.574 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.5 Cg_exo -47.97 -63.44 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.353 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 125' ' ' ARG . 26.6 mtt180 -55.12 -50.22 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.476 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 29.7 t80 -38.94 -41.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 42.1 mm -70.48 -37.47 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 122' ' ' ARG . 11.1 mmt180 -57.12 -54.59 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 t -53.43 163.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' GLN . 3.5 m -83.11 -36.34 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -35.86 -47.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.24 -44.62 91.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' SER . 41.5 mm-40 -60.58 -41.67 95.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.17 -56.16 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 20.1 mt -51.91 -50.51 60.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -62.59 -46.05 90.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t -81.25 157.35 25.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.4 -147.89 4.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 m -151.86 169.08 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -75.97 135.01 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.87 79.48 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 12' ' ' VAL . 30.3 m -97.23 -43.97 7.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -50.61 -49.4 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -42.49 96.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -61.67 -47.95 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.819 HG21 ' HB3' ' A' ' 132' ' ' LEU . 91.2 t -48.72 -55.71 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' GLY . 22.3 tptt -36.48 -46.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 mmt-85 -43.09 -46.9 5.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.763 ' CE3' HG13 ' A' ' 12' ' ' VAL . 1.7 m0 -62.35 -29.8 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -71.04 4.33 10.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -97.22 -41.23 8.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 175.42 143.9 4.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' GLY . 38.2 ttp -35.11 -45.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' MET . 19.9 m-20 -36.02 -63.76 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.54 -51.72 68.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.09 -39.24 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD22 ' HZ3' ' A' ' 48' ' ' TRP . 13.0 mt -68.67 -49.77 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -60.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -73.15 144.96 85.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.64 -39.72 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.68 -31.03 79.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 42.6 mtt180 -66.55 -48.89 68.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 15.2 pt-20 -72.12 -44.68 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 81.5 mm-40 -52.58 -59.86 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.502 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 17.0 t80 -54.97 -37.85 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 36' ' ' LEU . 1.4 tp -61.86 -53.92 49.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' LEU . 52.9 mttt -35.13 -59.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -49.98 -42.03 48.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 33' ' ' LEU . 57.8 mt -55.16 -62.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -39.04 -46.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.9 t -54.15 -48.34 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -85.11 12.64 7.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 52.13 39.58 26.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' SER . 51.1 m -114.15 -24.37 9.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.488 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 94.8 p -35.26 -42.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' SER . 7.1 pt-20 -33.79 -46.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.03 -55.38 31.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 46' ' ' ARG . 48.5 tp -64.64 -58.89 5.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' LEU . 16.5 mtp180 -35.54 -48.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 8.6 t80 -62.43 -49.51 75.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.575 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 7.5 t90 -49.13 -62.53 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.7 mt -49.19 -50.44 37.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.47 -39.88 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 99.4 t -67.69 -58.21 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -45.32 -41.27 8.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -79.95 -40.97 26.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 69' ' ' ILE . 66.8 tp -33.38 -63.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.16 -45.21 43.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 53' ' ' ASP . 7.2 mmpt? -51.44 -43.03 61.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mmp_? -52.36 150.45 8.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.67 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.77 166.84 26.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.228 . . . . 0.0 112.371 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 tp -56.24 -31.3 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -70.6 -32.94 70.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -108.27 9.91 27.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -75.84 -58.74 1.29 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.72 -51.36 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.4 m -44.99 -37.18 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.4 tpt180 -77.52 -45.03 26.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.555 HG21 ' CB ' ' A' ' 99' ' ' PRO . 27.2 t -33.25 -67.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 24.0 pt20 -56.71 -47.28 80.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.42 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 59.8 mm-40 -48.93 -62.25 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.528 ' CD1' HD13 ' A' ' 54' ' ' LEU . 46.7 mt -49.76 -40.57 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.571 ' CE3' HG21 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -73.34 -20.68 60.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.917 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.9 mt-30 -93.12 -1.81 56.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 4.7 tp10 -97.49 -47.64 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -117.98 -38.04 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 70' ' ' TRP . 35.6 mt -83.32 18.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.917 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -117.13 150.09 45.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.578 0.704 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -52.64 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.74 48.71 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.515 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -119.12 156.11 52.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.0 Cg_endo -69.8 -52.08 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.543 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 7.6 m -86.57 18.01 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.77 106.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.588 HG23 ' HB3' ' A' ' 73' ' ' PHE . 20.4 pt -89.55 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -132.23 131.0 41.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.443 HD21 HD11 ' A' ' 111' ' ' ILE . 9.7 mt -129.87 157.59 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.25 168.42 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.3 t -68.11 -57.67 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -53.36 -43.78 68.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.8 p -69.16 -59.04 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -48.87 -47.44 42.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.07 -50.74 66.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -56.18 -46.3 79.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.0 m -59.16 -62.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.1 m -40.64 -40.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -70.22 -44.52 68.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -60.65 -43.33 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.571 HG21 ' CE3' ' A' ' 70' ' ' TRP . 92.1 t -43.01 -44.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 96' ' ' VAL . 2.4 mptm? -32.26 -49.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -111.01 112.05 55.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.555 ' CB ' HG21 ' A' ' 66' ' ' VAL . 53.5 Cg_endo -69.73 134.29 27.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.16 -138.46 2.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -117.43 -35.75 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -110.84 17.91 20.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.963 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.9 m -56.67 -39.8 74.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -100.16 17.98 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -56.77 -45.72 81.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -52.93 -63.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.95 -48.07 32.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.575 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 30.3 tt0 -44.88 -38.14 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.509 ' HG3' ' CD ' ' A' ' 113' ' ' LYS . 14.5 tt0 -68.25 -57.34 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -47.51 -60.91 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.476 HG22 ' CE ' ' A' ' 115' ' ' MET . 42.8 mm -54.52 -54.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 2.0 t80 -49.01 -50.96 33.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.509 ' CD ' ' HG3' ' A' ' 109' ' ' GLU . 26.2 mtpt -61.3 -16.56 47.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 1.9 tp -92.91 -68.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.476 ' CE ' HG22 ' A' ' 111' ' ' ILE . 48.2 mtm -42.5 -39.08 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 117' ' ' SER . 5.1 ptmm? -47.73 -49.73 27.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.551 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 2.8 m -117.76 17.13 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.499 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -102.1 -61.47 1.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.576 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 14.7 m -97.04 -53.32 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.687 ' O ' HD12 ' A' ' 124' ' ' ILE . 2.8 t80 -34.56 -49.86 0.99 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.692 0.758 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.4 Cg_exo -47.94 -55.67 3.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 125' ' ' ARG . 94.8 mtt-85 -54.37 -47.16 72.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.502 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 4.1 t80 -40.27 -44.23 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.3 mp -68.75 -37.52 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 122' ' ' ARG . 15.7 mmm180 -64.33 -47.9 77.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t -64.94 176.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.1 t -96.65 -31.06 12.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -36.68 -44.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -47.62 68.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -56.56 -38.98 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -38.94 -59.83 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.819 ' HB3' HG21 ' A' ' 12' ' ' VAL . 2.0 mm? -48.37 -56.19 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.8 mt -43.56 -57.95 2.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.1 t -68.92 -66.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.51 95.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.467 ' HG3' HD13 ' A' ' 132' ' ' LEU . 53.4 Cg_endo -69.76 78.84 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.0 m -165.59 158.33 15.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.1 p -63.47 122.13 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.528 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 m 62.38 43.35 8.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -74.45 -47.21 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.54 -124.6 27.29 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 m -136.58 112.41 9.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -47.26 -53.31 13.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.05 111.07 0.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -85.44 -43.67 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -44.77 -48.08 10.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -67.13 -50.64 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -49.41 -46.06 47.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.523 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 73.0 t -48.79 -60.76 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB2' HD21 ' A' ' 133' ' ' LEU . 18.1 ttpt -45.98 -34.86 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -46.86 -34.8 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.523 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 4.5 m0 -69.73 -28.49 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.65 28.33 1.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' A' ' 15' ' ' TRP . 14.9 m-85 -116.59 16.3 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 117.11 138.38 6.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.53 ' HG2' HD11 ' A' ' 23' ' ' LEU . 18.5 ttp -34.2 -47.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' MET . 7.8 p-10 -37.29 -53.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 80.9 mm-40 -65.78 -63.04 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.24 -51.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.702 HD13 ' CH2' ' A' ' 48' ' ' TRP . 36.2 mt -54.74 -56.21 21.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 21.7 mttm -38.11 -58.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.94 143.96 87.24 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.274 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.77 -50.2 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.86 -29.52 42.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.515 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' NE ' HD21 ' A' ' 49' ' ' LEU . 17.0 mtt180 -67.55 -49.68 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.7 pt-20 -71.64 -44.52 64.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 85.1 mm-40 -57.11 -59.58 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 24.2 t80 -52.95 -35.17 58.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.8 tp -64.42 -54.05 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . 60.7 mttt -34.52 -55.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -54.96 -50.54 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 40.9 mt -43.05 -54.61 4.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -43.65 -44.29 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.2 t -57.08 -47.28 81.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -84.87 10.61 11.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 52.65 39.49 28.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' SER . 78.1 p -113.67 -21.2 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.494 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 76.1 p -37.21 -46.28 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 44' ' ' ASN . 9.3 pt-20 -39.97 -45.5 1.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 11.5 m-20 -53.28 -48.51 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' ARG . 17.4 tp -72.91 -52.8 13.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' LEU . 25.7 mmt180 -36.52 -48.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 3.0 t80 -64.08 -49.39 72.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.702 ' CH2' HD13 ' A' ' 23' ' ' LEU . 50.1 t90 -47.45 -60.6 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.434 HD21 ' NE ' ' A' ' 29' ' ' ARG . 33.5 mt -53.65 -44.69 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 47' ' ' PHE . . . -46.41 -43.73 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.446 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 91.8 t -65.76 -47.53 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 6.3 mm-40 -50.66 -41.36 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' LYS . 7.1 m-20 -79.76 -40.78 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' ASP . 54.6 tp -35.67 -61.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.49 -41.3 40.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ASP . 7.4 mmpt? -60.43 -40.37 90.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 6.5 mmp_? -52.91 149.25 12.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.597 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.74 163.27 38.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.2 tp -55.85 -29.73 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -68.28 -31.4 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -113.85 11.62 17.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.0 t -74.73 -58.79 1.62 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.78 -52.72 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.2 m -43.31 -35.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' VAL . 17.0 mmt-85 -78.96 -39.4 34.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 63' ' ' PRO . 53.7 t -33.08 -68.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.5 pt20 -58.27 -48.55 80.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 54.2 mm-40 -44.18 -62.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.0 mt -48.43 -44.19 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.663 ' CH2' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -72.34 -20.55 61.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.966 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 35.1 mt-30 -92.09 -3.94 55.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.597 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 3.0 tp10 -96.44 -47.16 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.4 OUTLIER -118.0 -39.42 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 70' ' ' TRP . 16.9 mt -82.19 18.05 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.966 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -114.69 151.52 45.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.542 0.687 . . . . 0.0 111.106 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -53.15 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.56 50.82 2.65 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -118.17 156.56 50.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.7 -52.84 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.58 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 8.9 m -87.5 17.86 4.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -44.21 103.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.49 HG23 ' O ' ' A' ' 80' ' ' SER . 6.3 pt -91.71 -178.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -130.2 141.7 50.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 mt -133.26 175.48 9.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -76.52 166.75 22.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 p -67.88 -41.23 83.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -65.65 -41.11 92.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.1 p -75.74 -55.55 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -48.39 -54.24 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.82 -42.19 62.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -64.76 -57.96 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 96' ' ' VAL . 60.6 m -53.77 -61.54 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.663 HG23 ' CH2' ' A' ' 70' ' ' TRP . 6.0 m -39.26 -44.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -70.45 -49.85 44.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.428 ' HB3' HG23 ' A' ' 103' ' ' THR . 73.8 m-20 -52.87 -47.7 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 92' ' ' THR . 88.4 t -37.99 -43.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 96' ' ' VAL . 39.2 mmtt -36.28 -44.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -102.69 116.61 62.41 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.613 0.721 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.486 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.77 113.2 3.3 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.36 -165.26 10.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -97.91 -53.08 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -88.54 17.64 5.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 95' ' ' ASN . 94.1 m -54.36 -48.59 71.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -93.85 16.58 13.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -54.8 -49.35 71.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -60.4 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.78 -43.95 48.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.479 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 52.1 tt0 -52.28 -36.25 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.88 -43.4 62.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -54.5 -57.69 10.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.22 -41.66 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -54.29 -59.13 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 42.7 mtmt -54.4 -17.13 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.3 tp -91.57 -67.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.7 mtm -44.92 -37.94 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.537 ' HG3' ' N ' ' A' ' 117' ' ' SER . 10.2 ptmm? -51.39 -47.97 62.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.537 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 7.1 m -116.89 15.63 15.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' LEU . 0.9 OUTLIER -105.3 -60.2 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.606 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 2.7 m -95.54 -54.36 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.548 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 0.7 OUTLIER -35.83 -48.41 1.42 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.697 0.76 . . . . 0.0 110.936 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.606 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.0 Cg_exo -48.0 -62.12 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.366 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -58.06 -48.47 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 43.7 t80 -40.68 -43.03 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.58 -40.92 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -58.8 -49.65 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.5 t -54.44 168.55 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 1.9 t -90.88 -36.04 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -35.84 -40.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -70.72 -52.41 21.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 131' ' ' GLU . 29.9 mm-40 -53.54 -33.76 55.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 62.8 mm-40 -36.59 -65.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.613 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.0 OUTLIER -45.36 -51.47 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 13' ' ' LYS . 56.3 mt -54.96 -62.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 44.7 t -60.94 -66.28 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' A' ' 137' ' ' SER . . . 81.72 138.4 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 14.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 135' ' ' GLY . 3.7 m -42.25 -54.7 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.5 t -62.87 173.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -154.56 130.43 10.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 t -88.21 -53.7 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.14 64.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t -90.81 -43.32 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -55.83 127.8 31.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.67 -58.11 0.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.535 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.6 t -40.74 -41.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' CD ' ' O ' ' A' ' 133' ' ' LEU . 49.1 tt0 -38.42 -41.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.57 -44.77 70.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -62.52 -42.54 99.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.976 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 87.0 t -53.88 -39.25 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ARG . 29.2 tptt -55.95 -51.55 67.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LYS . 9.0 mmt-85 -37.23 -37.88 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.976 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 6.6 m0 -62.79 -51.32 67.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.21 -23.07 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' TRP . 94.1 m-85 -76.28 12.4 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.898 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 115.45 159.78 12.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.577 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 6.8 ttp -54.89 -37.69 66.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -36.72 -48.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.25 -52.08 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.15 -55.26 8.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.834 HD13 ' CH2' ' A' ' 48' ' ' TRP . 47.9 mt -49.12 -48.36 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -52.46 -45.92 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.445 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 2.8 t70 -83.46 142.71 43.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.8 Cg_endo -69.76 -46.55 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 0.0 112.392 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.14 -48.15 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.98 -28.3 60.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -69.1 -48.89 61.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 8.2 pt-20 -69.67 -42.66 73.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 94.3 mm-40 -55.73 -56.72 17.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CE2' HD21 ' A' ' 36' ' ' LEU . 26.1 t80 -55.1 -33.37 62.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.4 tp -67.13 -51.36 54.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 65.6 mttt -34.87 -60.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -54.74 -52.4 62.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 119' ' ' SER . 0.5 OUTLIER -45.12 -55.09 6.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -51.9 -34.99 43.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 t -64.25 -49.62 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -84.11 13.07 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 53.73 43.46 31.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 p -114.53 -18.76 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.9 p -39.86 -37.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 80' ' ' SER . 6.6 pt-20 -38.89 -40.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' C ' ' SD ' ' A' ' 115' ' ' MET . 3.3 m-20 -66.08 -53.08 42.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' N ' ' SD ' ' A' ' 115' ' ' MET . 52.4 tp -67.49 -60.41 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LEU . 49.7 mtt180 -34.93 -42.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 23.1 t80 -68.69 -47.88 65.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.834 ' CH2' HD13 ' A' ' 23' ' ' LEU . 40.5 t90 -48.35 -57.76 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.3 mt -57.54 -45.94 84.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.91 -44.62 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.466 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 76.6 t -71.3 -51.8 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 37.2 mm-40 -41.23 -42.93 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 56' ' ' LYS . 30.1 t70 -81.06 -39.57 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 62.2 tp -33.6 -59.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -42.76 58.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 53' ' ' ASP . 26.5 mmtt -60.27 -40.44 90.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -52.0 146.36 15.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.598 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 165.07 32.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.407 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 6.7 tp -54.03 -29.21 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -33.83 72.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -110.37 12.22 23.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -77.15 -59.63 0.87 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.624 0.726 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.494 ' N ' HG12 ' A' ' 62' ' ' VAL . 54.0 Cg_endo -69.79 -54.08 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 p -43.94 -35.19 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 2.9 tpt180 -76.74 -42.92 39.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.475 HG21 ' HA ' ' A' ' 99' ' ' PRO . 42.8 t -34.42 -62.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 19.9 pt20 -63.4 -50.19 70.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 31.9 mm-40 -40.08 -68.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.0 mt -44.41 -47.5 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.612 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -69.23 -24.14 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.763 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 21.9 mt-30 -81.78 -8.56 59.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.627 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 26.9 tt0 -106.36 -51.03 3.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.566 ' C ' ' H ' ' A' ' 75' ' ' ALA . 10.0 m-85 -98.07 -65.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.514 ' CB ' ' CE3' ' A' ' 70' ' ' TRP . 26.7 mt -67.86 18.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.23 141.61 27.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.131 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.64 52.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.23 . . . . 0.0 112.374 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.88 14.97 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.691 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -81.66 158.43 68.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.7 -47.16 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.286 . . . . 0.0 112.342 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.2 m -100.31 17.97 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -48.82 117.64 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.776 HD12 HD11 ' A' ' 111' ' ' ILE . 15.0 pt -103.09 179.63 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -125.05 135.06 52.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.2 mt -122.51 176.11 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 8.8 t0 -72.62 164.58 26.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 m -62.52 -39.87 94.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.6 OUTLIER -76.83 -46.21 25.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.482 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 31.6 m -61.18 -58.72 7.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -51.67 -56.63 12.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -52.04 -53.86 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -56.48 -40.26 74.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' ASN . 99.4 m -66.02 -63.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' THR . 20.3 m -34.95 -44.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -72.01 -44.84 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.5 m-20 -58.46 -39.39 79.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.6 t -40.94 -55.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -34.86 -36.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.428 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 12.4 mt-10 -96.04 105.13 19.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.657 0.741 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.475 ' HA ' HG21 ' A' ' 66' ' ' VAL . 54.4 Cg_endo -69.76 116.65 4.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.0 -151.32 5.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -114.28 -36.13 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -106.07 18.03 22.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.3 m -56.06 -42.08 76.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.511 ' CE1' HD12 ' A' ' 74' ' ' LEU . 81.1 m-85 -97.74 17.4 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -50.05 -56.97 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -49.03 -59.15 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -50.84 -52.9 36.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.556 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 40.3 tt0 -48.89 -38.64 23.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -73.92 -42.8 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 45.0 t60 -58.11 -44.77 87.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.776 HD11 HD12 ' A' ' 82' ' ' ILE . 48.2 mm -66.84 -44.79 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.0 t80 -53.63 -52.03 61.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.475 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 44.4 mtmt -61.99 -14.2 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 118' ' ' ASP . 0.6 OUTLIER -92.27 -68.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.521 ' CE ' HG22 ' A' ' 111' ' ' ILE . 44.8 mtm -47.86 -34.28 8.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.475 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -53.85 -46.09 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.5 t -111.59 14.77 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.469 ' HB2' ' HA ' ' A' ' 115' ' ' MET . 0.4 OUTLIER -107.04 -62.83 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.702 ' HB3' HD11 ' A' ' 36' ' ' LEU . 23.8 m -92.05 -52.12 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.1 t80 -37.58 -49.88 2.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.698 0.761 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 120' ' ' TYR . 63.8 Cg_exo -47.93 -65.47 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.64 2.227 . . . . 0.0 112.372 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' ARG . 60.9 mtm-85 -62.45 -51.94 65.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -37.9 -40.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.3 mt -70.51 -40.83 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 122' ' ' ARG . 10.3 mmt85 -58.34 -45.37 88.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 m -64.12 148.89 48.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 130' ' ' GLN . 75.6 m -60.0 -32.6 71.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.73 -38.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -76.01 -45.08 36.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 131' ' ' GLU . 48.3 mm-40 -60.5 -38.82 85.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 130' ' ' GLN . 14.5 mt-10 -35.69 -54.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.657 ' HB3' HG21 ' A' ' 12' ' ' VAL . 1.1 mm? -60.35 -51.21 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.454 ' O ' ' CD ' ' A' ' 9' ' ' GLN . 26.7 mt -54.61 -60.24 3.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.7 t -59.01 -56.73 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -140.53 91.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 94.1 p -142.1 106.05 4.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 68.1 p -90.0 -44.19 10.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -150.79 121.33 7.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 t -109.45 156.0 20.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.09 -61.34 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -106.14 167.91 9.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -121.63 171.34 8.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.47 -50.58 0.51 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 12' ' ' VAL . 50.2 m -57.5 -44.89 85.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.826 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -48.23 -48.46 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -63.34 -43.87 96.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -59.15 -38.56 79.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.737 HG22 ' CH2' ' A' ' 15' ' ' TRP . 99.5 t -62.52 -55.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HB2' HD21 ' A' ' 133' ' ' LEU . 17.4 tptm -43.75 -44.42 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 6.4 mmm180 -47.04 -43.42 19.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.737 ' CH2' HG22 ' A' ' 12' ' ' VAL . 11.3 m0 -54.36 -29.57 48.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.86 25.56 2.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.457 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 14.3 m-85 -117.72 16.27 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 118.8 143.45 7.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 20' ' ' ASP . 7.3 ttp -37.84 -43.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' MET . 25.1 m-20 -33.85 -59.18 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' ALA . 75.3 mm-40 -63.02 -60.77 2.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -35.29 -39.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.467 HD13 ' CH2' ' A' ' 48' ' ' TRP . 12.2 mt -76.28 -47.47 23.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.4 mttm -38.39 -63.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.47 147.85 90.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.724 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.325 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.38 -37.97 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.51 -28.14 71.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -68.35 -48.4 64.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.9 pt-20 -71.97 -45.61 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 54.3 mm-40 -53.77 -58.96 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 9.5 t80 -55.23 -34.81 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' A' ' 36' ' ' LEU . 3.3 tp -63.3 -54.2 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LEU . 63.5 mttt -37.05 -56.4 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -52.44 -50.16 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 33' ' ' LEU . 52.5 mt -46.99 -58.13 4.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -42.23 -48.92 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -54.66 -44.01 72.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.56 13.56 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 52.35 39.2 26.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.8 m -112.22 -20.49 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -39.29 -44.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' HG22 ' A' ' 82' ' ' ILE . 8.8 pt-20 -39.15 -44.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -57.4 -56.17 25.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' TRP . 41.8 tp -60.65 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 45' ' ' LEU . 22.3 mtp85 -34.77 -49.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 30.1 t80 -63.25 -41.91 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' ' 45' ' ' LEU . 31.9 t90 -59.82 -56.15 25.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -58.78 -45.22 90.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.97 -42.41 17.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.455 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 92.9 t -66.1 -47.31 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.481 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 24.9 mm-40 -54.41 -49.51 69.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -71.72 -40.3 69.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -38.54 -43.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -60.93 -50.31 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -54.32 -39.42 67.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -52.16 145.9 17.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 160.31 50.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 tp -52.84 -30.26 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -67.05 -29.17 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -113.58 12.7 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -73.03 -58.54 2.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.72 -51.28 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 m -43.18 -36.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' VAL . 3.8 tpt180 -80.03 -47.44 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 62' ' ' VAL . 36.0 t -33.64 -64.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 5.8 pt20 -60.1 -47.93 83.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.431 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 54.9 mm-40 -46.36 -64.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.4 mt -46.22 -47.36 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.664 ' CH2' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -70.57 -22.63 62.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.772 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 25.3 mt-30 -84.28 -7.27 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 4.0 tp10 -108.75 -49.61 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' C ' ' H ' ' A' ' 75' ' ' ALA . 13.3 m-85 -98.09 -66.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.535 HD13 HG21 ' A' ' 92' ' ' THR . 30.8 mt -69.04 18.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.772 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.53 139.84 25.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 161.3 46.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.324 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.32 15.37 1.12 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -84.94 158.43 58.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.711 . . . . 0.0 111.08 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.4 Cg_endo -69.79 -47.74 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.252 . . . . 0.0 112.275 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -98.14 17.96 17.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.663 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -51.26 122.67 8.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.068 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.748 HD12 HD11 ' A' ' 111' ' ' ILE . 14.4 pt -108.13 179.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -126.28 136.65 53.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.5 mt -126.73 177.7 6.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.48 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 5.5 t0 -75.36 151.11 38.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.2 p -47.94 -36.85 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -72.71 -66.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -46.94 -53.62 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -52.93 -63.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -45.92 -52.98 10.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -56.18 -60.26 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.535 HG21 HD13 ' A' ' 74' ' ' LEU . 93.4 m -48.11 -63.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.664 HG23 ' CH2' ' A' ' 70' ' ' TRP . 24.2 m -34.7 -43.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -74.07 -43.97 55.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 92' ' ' THR . 2.5 m-20 -59.33 -40.31 85.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.568 HG21 ' CE3' ' A' ' 70' ' ' TRP . 84.8 t -39.76 -58.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -33.85 -37.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 96' ' ' VAL . 11.1 mt-10 -94.24 106.37 22.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 98' ' ' GLU . 53.8 Cg_endo -69.72 114.38 3.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.97 -165.72 13.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -97.41 -50.0 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -88.22 17.78 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.8 m -53.22 -55.09 27.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -92.19 17.58 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -43.78 -43.62 6.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -65.56 -63.74 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.96 -46.6 16.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.481 ' NE2' ' HG2' ' A' ' 52' ' ' GLU . 50.4 tt0 -50.83 -41.33 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 17.6 tt0 -72.57 -47.21 49.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 75.5 t60 -48.12 -55.71 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.748 HD11 HD12 ' A' ' 82' ' ' ILE . 46.0 mm -59.15 -41.13 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 4.7 t80 -55.25 -54.82 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.467 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 21.9 mtmt -56.95 -16.27 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.594 HD12 ' OD1' ' A' ' 118' ' ' ASP . 0.9 OUTLIER -91.62 -72.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 32.8 mtm -45.02 -39.0 5.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -45.18 -47.63 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.506 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 3.0 m -117.61 16.83 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.594 ' OD1' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -104.89 -61.76 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.531 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 35.5 m -92.59 -54.08 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.532 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 3.1 t80 -34.07 -51.31 0.91 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.704 0.764 . . . . 0.0 110.952 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 65.1 Cg_exo -47.94 -56.54 3.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -52.23 -42.07 63.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -44.06 -41.52 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.515 HD11 ' CE1' ' A' ' 120' ' ' TYR . 4.7 mp -70.1 -36.23 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -68.27 -46.41 70.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 63.5 p -63.48 176.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 41.1 m -98.87 -32.31 11.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.82 -46.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.85 -46.87 80.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -59.62 -40.22 86.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -39.39 -55.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.598 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.5 mm? -53.74 -50.65 65.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 13' ' ' LYS . 10.0 mt -48.82 -55.85 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.6 t -55.94 -51.95 65.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -174.93 120.27 0.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.12 37.69 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 65.3 p -105.26 118.5 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.0 t -88.52 -47.29 8.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -40.1 -59.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -158.86 155.56 28.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.49 156.14 23.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 m -128.97 144.03 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 p -92.78 -48.49 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.87 117.53 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.2 t -100.92 -38.05 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -42.08 -42.69 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.57 -44.53 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' NE ' ' OD1' ' A' ' 25' ' ' ASP . 41.5 ttt180 -59.88 -41.02 90.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.632 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 74.6 t -56.2 -56.83 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 14' ' ' ARG . 23.3 tptm -40.34 -56.42 2.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' LYS . 3.3 mmt180 -35.26 -37.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.632 ' CZ3' HG22 ' A' ' 12' ' ' VAL . 10.8 m0 -65.76 -56.38 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -33.39 -43.97 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -44.55 -48.3 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.487 ' C ' ' CE2' ' A' ' 120' ' ' TYR . . . 172.09 164.5 27.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.569 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 22.1 ttp -47.93 -52.15 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 19' ' ' MET . 33.7 t0 -32.04 -59.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 16.1 mp0 -56.88 -62.09 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HB2' ' OH ' ' A' ' 120' ' ' TYR . . . -42.33 -51.47 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.598 HD13 ' CH2' ' A' ' 48' ' ' TRP . 87.3 mt -46.54 -55.91 6.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 6.3 mptp? -38.7 -53.2 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.487 ' OD1' ' NE ' ' A' ' 11' ' ' ARG . 18.6 t70 -80.25 142.21 54.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.637 0.732 . . . . 0.0 110.852 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.78 -46.83 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 98.4 t -62.81 -61.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -43.74 -28.59 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 18.0 mtm180 -68.49 -44.72 74.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 6.5 pt-20 -71.93 -38.07 69.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -56.43 -60.33 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CE1' HD21 ' A' ' 36' ' ' LEU . 7.3 t80 -53.1 -36.67 60.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.6 tp -62.62 -54.57 37.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 33.0 mttm -34.93 -59.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -48.8 -50.36 34.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 32' ' ' PHE . 44.3 mt -46.84 -58.69 3.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' LEU . 42.6 mt-10 -35.73 -46.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.2 m -55.3 -53.49 55.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' CD ' ' HB2' ' A' ' 41' ' ' SER . 4.1 pt-20 -78.39 8.58 4.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 52.91 36.52 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.408 ' HB2' ' CD ' ' A' ' 39' ' ' GLU . 48.9 m -117.93 17.79 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.2 p -66.06 -33.34 75.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -42.15 -54.07 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -40.59 -59.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' TRP . 58.0 tp -68.56 -57.33 5.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LEU . 8.3 mtp180 -34.95 -42.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.534 ' CE1' ' CG2' ' A' ' 51' ' ' VAL . 2.6 t80 -70.84 -46.39 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.598 ' CH2' HD13 ' A' ' 23' ' ' LEU . 26.6 t90 -48.25 -61.15 2.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.6 -46.01 70.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.59 -43.16 46.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.534 ' CG2' ' CE1' ' A' ' 47' ' ' PHE . 72.8 t -65.98 -60.27 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' OE1' ' CZ3' ' A' ' 48' ' ' TRP . 6.6 mt-10 -36.5 -40.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 54' ' ' LEU . 40.5 m-20 -75.22 -41.24 58.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.48 HD13 HD12 ' A' ' 69' ' ' ILE . 68.9 tp -33.15 -65.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -47.96 62.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -51.49 -39.72 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -56.03 152.59 20.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.821 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.545 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.73 163.43 38.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.375 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.779 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -55.06 -30.87 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -70.81 -31.51 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -107.57 11.16 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -74.65 -58.83 1.65 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.79 -49.71 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 m -47.37 -37.1 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' VAL . 22.0 mmm-85 -80.34 -44.35 19.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 62' ' ' VAL . 11.9 t -33.32 -63.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 25.4 pt20 -58.79 -51.22 70.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 6.0 mm-40 -45.08 -65.77 0.49 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.48 HD12 HD13 ' A' ' 54' ' ' LEU . 31.1 mt -47.39 -43.97 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.698 ' CE3' HG21 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -70.79 -25.04 62.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.928 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 30.9 mt-30 -88.42 -2.83 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 17.4 tt0 -95.63 -47.66 6.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.61 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -118.02 -37.99 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.586 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 40.0 mt -82.88 18.04 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.928 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.58 149.08 43.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 111.085 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -52.35 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.367 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.05 39.73 3.11 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -109.7 154.45 42.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.609 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.5 m -87.33 18.02 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -44.89 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 73' ' ' PHE . 7.3 pt -84.96 -177.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -125.09 136.05 53.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.6 mt -126.1 171.26 10.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.86 144.47 43.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 76.9 p -45.27 -40.42 7.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -72.27 -60.87 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.7 m -50.26 -59.83 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -45.22 -50.04 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.31 -56.97 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -54.75 -58.85 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 96' ' ' VAL . 32.6 m -48.93 -59.48 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.418 ' HA ' ' CZ3' ' A' ' 70' ' ' TRP . 33.8 m -36.89 -52.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -66.41 -54.84 19.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -44.57 -45.47 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.698 HG21 ' CE3' ' A' ' 70' ' ' TRP . 95.6 t -43.7 -46.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 96' ' ' VAL . 24.1 mmtm -34.5 -46.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.36 116.86 64.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.94 26.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.2 -159.11 9.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -106.28 -37.88 6.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -104.88 17.85 23.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.8 m -54.03 -47.7 71.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CE1' HG22 ' A' ' 96' ' ' VAL . 36.9 m-85 -97.1 17.84 16.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.32 -47.06 55.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.14 -59.9 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.34 -60.73 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.527 ' HA ' ' CE2' ' A' ' 47' ' ' PHE . 36.3 tt0 -43.87 -46.33 7.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' TYR . 33.6 tt0 -65.38 -53.8 38.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -39.18 -46.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.3 mm -63.97 -37.4 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.3 t80 -59.23 -56.26 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -58.93 -11.31 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.597 HD11 ' OD2' ' A' ' 118' ' ' ASP . 0.9 OUTLIER -93.09 -71.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.429 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 24.6 mtm -44.19 -39.42 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 117' ' ' SER . 5.0 ptmm? -44.71 -47.73 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.521 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.4 p -116.86 13.14 14.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.597 ' OD2' HD11 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -104.48 -64.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.519 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 38.7 m -94.19 -53.16 4.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.3 t80 -35.21 -50.86 1.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.713 0.768 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.519 ' HD2' ' C ' ' A' ' 119' ' ' SER . 63.9 Cg_exo -47.89 -54.16 5.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -56.05 -34.41 65.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.46 -49.09 68.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 124' ' ' ILE . 4.9 mp -61.72 -53.26 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -51.9 -46.38 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.6 p -60.02 153.71 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 128' ' ' ALA . 3.0 m -73.84 -41.85 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.82 -40.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -69.94 -54.71 12.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 131' ' ' GLU . 35.0 mm-40 -53.96 -46.06 71.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 9.2 mm-40 -35.88 -45.05 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 27.0 mt -66.54 -53.02 39.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.2 mt -50.31 -50.94 49.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.2 t -70.27 -55.78 8.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.82 92.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -42.86 3.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.357 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.6 m -60.18 142.06 54.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.1 t -116.68 17.99 15.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 m -114.72 118.02 32.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -42.8 -44.22 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.02 -165.35 33.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -127.85 162.81 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.366 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 m -135.29 142.68 45.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.828 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.3 84.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -90.59 -44.84 9.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -43.69 -46.25 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -67.22 -41.81 85.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.33 -42.54 66.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.498 HG11 ' HB2' ' A' ' 132' ' ' LEU . 93.5 t -58.41 -59.28 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -43.65 -43.06 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -41.54 -38.18 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 9.1 m0 -67.93 -46.73 70.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -36.15 -43.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.491 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -48.47 -53.72 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.503 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 179.89 171.32 42.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 20' ' ' ASP . 7.0 ttp -54.91 -43.16 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 19' ' ' MET . 1.1 m-20 -31.98 -46.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 23' ' ' LEU . 71.9 mm-40 -78.01 -65.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -36.43 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.635 HD13 ' CH2' ' A' ' 48' ' ' TRP . 80.6 mt -79.03 -54.63 5.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -44.97 -34.64 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.42 146.26 31.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.577 0.703 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.84 -47.84 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.11 -28.98 51.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -67.74 -50.98 54.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.755 0.312 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.3 pt-20 -71.3 -47.46 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.5 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 91.2 mm-40 -51.67 -59.69 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 36' ' ' LEU . 15.9 t80 -52.72 -38.24 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -63.07 -55.89 21.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HE3' ' NE2' ' A' ' 31' ' ' GLN . 7.9 mtmp? -34.32 -55.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 123' ' ' PHE . 50.8 t80 -52.64 -50.46 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 32' ' ' PHE . 25.5 mt -44.11 -53.94 5.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' LEU . 49.7 mt-10 -36.49 -46.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 3.7 m -56.86 -52.25 65.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -83.41 14.79 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 52.17 42.49 30.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' SER . 26.9 t -114.11 -16.5 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.5 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 85.9 p -34.56 -40.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' ASN . 6.1 pt-20 -57.03 -54.81 42.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.444 ' O ' HG21 ' A' ' 111' ' ' ILE . 11.3 m-20 -36.99 -43.44 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' ARG . 14.2 tp -84.24 -55.97 3.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' LEU . 23.1 mtp180 -36.99 -42.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 13.9 t80 -66.2 -46.94 75.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.635 ' CH2' HD13 ' A' ' 23' ' ' LEU . 43.0 t90 -51.48 -62.2 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -48.9 -48.22 42.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.66 -56.67 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 81.1 t -54.4 -49.02 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE2' ' CH2' ' A' ' 48' ' ' TRP . 20.5 mt-10 -47.4 -45.79 25.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 63.0 m-20 -74.8 -40.25 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.628 HD13 ' CD1' ' A' ' 69' ' ' ILE . 62.9 tp -32.73 -66.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 5.7 ptpt -50.61 -42.21 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 45.8 mmtt -57.87 -40.79 81.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 57' ' ' ARG . 4.6 mmp_? -53.18 154.61 5.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 157.76 59.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.503 HG23 ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -48.38 -45.53 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.503 ' N ' HG23 ' A' ' 59' ' ' ILE . 4.7 ptpt -59.06 -28.47 66.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -108.15 16.74 23.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.621 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -79.27 -60.13 0.56 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 0.0 111.177 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.498 ' N ' HG12 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.78 -51.63 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.0 m -43.89 -37.99 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 11.6 tpp180 -79.12 -43.94 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 62' ' ' VAL . 25.8 t -33.86 -66.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 8.2 pt20 -59.45 -48.3 82.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 47.0 mm-40 -46.66 -63.3 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.628 ' CD1' HD13 ' A' ' 54' ' ' LEU . 21.3 mt -49.07 -40.73 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.624 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -74.66 -17.47 60.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.985 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 24.6 mt-30 -93.06 -3.37 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 2.7 tp10 -99.27 -45.98 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -118.0 -37.98 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' A' ' 70' ' ' TRP . 16.7 mt -85.33 17.97 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.985 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -113.12 150.58 43.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.563 0.697 . . . . 0.0 111.118 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -53.58 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.27 46.53 2.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -115.34 155.24 47.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.54 0.686 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.1 Cg_endo -69.75 -53.02 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.512 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 12.9 m -84.52 18.03 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -47.13 109.78 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.45 HG23 ' HB3' ' A' ' 73' ' ' PHE . 6.6 pt -95.33 -177.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -130.1 126.72 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.473 HD23 HD11 ' A' ' 111' ' ' ILE . 46.9 mt -115.77 162.91 16.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -53.48 158.18 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -53.06 -55.67 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -69.24 -43.56 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.478 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 67.1 m -51.6 -53.36 39.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -57.51 -49.92 74.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -53.13 -44.54 67.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -66.2 -48.44 70.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 96' ' ' VAL . 35.3 m -58.46 -56.74 18.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.7 m -45.65 -44.3 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -69.16 -45.16 70.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -58.77 -45.42 89.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.657 HG22 ' CE1' ' A' ' 104' ' ' PHE . 91.9 t -42.76 -44.03 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' VAL . 27.9 mmtp -35.16 -46.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.02 116.23 63.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.614 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.7 Cg_endo -69.75 132.89 24.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.09 -155.86 7.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.438 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 43.3 mtt180 -109.83 -38.0 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -105.2 17.86 23.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.0 m -56.07 -50.79 70.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.657 ' CE1' HG22 ' A' ' 96' ' ' VAL . 76.6 m-85 -90.26 17.91 6.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -54.1 -44.87 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.21 -60.38 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.1 -52.13 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.58 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 57.2 tt0 -48.2 -40.18 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -67.58 -48.11 67.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -52.41 -64.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.473 HD11 HD23 ' A' ' 84' ' ' LEU . 48.5 mm -52.35 -38.39 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.444 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 68.2 t80 -56.37 -62.62 1.6 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 37.6 mtmt -54.85 -26.1 33.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.488 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 0.5 OUTLIER -69.37 -70.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 116' ' ' LYS . 59.2 mtm -40.82 -37.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 115' ' ' MET . 18.4 mtpp -34.09 -70.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.441 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 3.5 m -107.48 18.03 22.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.488 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -97.92 -68.89 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.536 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -94.32 -51.91 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.503 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 0.9 OUTLIER -32.9 -51.42 0.64 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.914 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.536 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.7 Cg_exo -47.91 -59.3 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 123' ' ' PHE . 35.6 mtt180 -58.27 -51.94 67.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.451 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 16.1 t80 -36.97 -49.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.0 mt -64.92 -47.75 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -46.01 -51.02 14.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.3 t -60.05 140.51 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' ALA . 57.8 m -57.93 -36.05 71.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.79 -40.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -73.15 -52.15 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 131' ' ' GLU . 45.0 mm-40 -53.99 -42.66 69.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.1 mt-10 -35.86 -55.03 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.498 ' HB2' HG11 ' A' ' 12' ' ' VAL . 13.2 mt -55.95 -55.28 34.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 mt -43.3 -60.16 1.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.9 t -53.66 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -178.02 121.84 0.79 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 170.54 16.28 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.374 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.4 t -48.27 -60.3 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.6 t -69.94 -60.74 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -42.52 -46.19 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 p -83.56 131.97 34.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.21 -99.22 0.11 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -86.79 -53.67 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -151.37 136.19 17.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.14 42.89 1.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.7 m -67.3 -44.41 79.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 110.84 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -44.07 -44.95 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -47.76 84.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -59.18 -40.26 85.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.543 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 55.9 t -54.98 -60.22 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' HD21 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -42.57 -45.03 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 44.8 mtt180 -52.68 -50.11 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.543 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 14.2 m0 -45.6 -28.37 0.95 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.68 29.32 2.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 22.5 m-85 -117.86 -33.22 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 158.65 146.74 4.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.476 ' HG2' HD11 ' A' ' 23' ' ' LEU . 24.6 ttp -33.75 -47.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' MET . 11.4 t0 -32.34 -54.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 23' ' ' LEU . 73.8 mm-40 -68.8 -62.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -34.22 -32.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.613 HD13 ' CH2' ' A' ' 48' ' ' TRP . 27.6 mt -79.07 -55.27 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 20.0 pttt -45.55 -33.52 2.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 74.8 m-20 -89.44 142.64 29.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.575 0.703 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -51.35 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 31' ' ' GLN . 72.1 t -65.7 -48.97 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.7 -29.84 26.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -66.22 -49.69 66.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.3 pt-20 -72.78 -44.67 61.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HG2' HG12 ' A' ' 27' ' ' VAL . 71.2 mm-40 -54.62 -57.78 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 20.9 t80 -54.14 -38.28 65.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.3 tp -63.91 -53.68 46.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' LEU . 34.6 mttm -36.35 -45.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -61.36 -45.44 94.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 9.9 mp -53.19 -56.33 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -38.23 -39.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -63.77 -49.02 74.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -84.1 12.59 6.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 53.59 44.47 29.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' SER . 3.7 m -114.33 -17.31 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.486 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 86.1 p -35.11 -49.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' HG3' HG22 ' A' ' 82' ' ' ILE . 5.3 pt-20 -38.81 -47.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -50.71 -55.68 15.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' TRP . 26.3 tp -67.51 -57.38 6.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -37.43 -42.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.519 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 21.1 t80 -69.67 -43.23 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.613 ' CH2' HD13 ' A' ' 23' ' ' LEU . 25.4 t90 -53.37 -59.1 5.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.6 mt -54.52 -47.67 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.8 -46.03 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 59.1 t -62.61 -51.58 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -43.31 -47.94 6.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' LEU . 25.5 t0 -75.55 -43.92 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 69' ' ' ILE . 47.9 tp -34.84 -64.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 12.5 ptpt -53.65 -44.01 69.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -56.46 -39.29 72.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -52.31 144.43 22.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.543 0.687 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.72 168.44 21.51 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.1 tp -54.08 -31.41 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -68.49 -31.24 70.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -116.3 13.56 15.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -75.35 -58.79 1.41 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.613 0.72 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.8 -51.3 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 m -46.63 -36.56 7.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.1 tpt180 -78.4 -45.04 23.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 62' ' ' VAL . 39.2 t -36.0 -65.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -59.49 -47.72 84.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -45.64 -61.08 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.5 HD12 HD13 ' A' ' 54' ' ' LEU . 31.4 mt -51.19 -44.01 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -71.6 -15.96 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.899 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 28.6 mt-30 -94.41 -2.17 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.488 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 2.9 tp10 -104.43 -44.52 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.519 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 2.4 m-85 -113.91 -47.24 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 28.6 mt -79.44 18.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -119.55 140.09 28.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.094 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.27 47.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.71 -19.34 5.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.642 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -52.08 161.89 0.91 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.712 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.642 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.6 Cg_endo -69.74 -49.5 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 82' ' ' ILE . 49.5 m -97.7 18.04 16.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -45.95 105.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 80' ' ' SER . 7.1 pt -91.98 -178.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -130.03 125.4 35.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.4 mt -110.39 162.02 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' SER . 8.8 t0 -60.66 136.39 58.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' ASP . 5.1 t -34.75 -37.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.8 tppp? -76.17 -63.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -45.1 -43.32 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -59.45 -54.91 41.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -54.43 -47.41 72.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 13.8 tmtt? -60.16 -44.76 94.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 96' ' ' VAL . 90.2 m -65.62 -61.51 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.5 m -42.82 -42.16 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -69.98 -44.68 68.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.552 ' HB3' HG23 ' A' ' 103' ' ' THR . 4.1 m-20 -60.24 -46.82 88.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 92' ' ' THR . 96.4 t -37.69 -41.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' VAL . 31.7 mmtp -34.89 -43.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -109.64 115.02 56.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 127.96 15.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -147.88 -147.86 4.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 48.7 mtt180 -115.93 -36.56 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -110.09 18.02 20.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.552 HG23 ' HB3' ' A' ' 95' ' ' ASN . 89.2 m -53.62 -44.35 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -94.42 17.04 13.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 22.3 pt-20 -46.56 -47.75 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 105' ' ' GLU . 1.1 m-20 -60.65 -66.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.11 -47.86 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -55.7 -39.55 71.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 9.2 tt0 -71.42 -41.71 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.428 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 44.7 t60 -54.52 -54.05 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.42 HG22 ' CE ' ' A' ' 115' ' ' MET . 36.9 mm -61.09 -37.69 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 5.4 t80 -57.12 -55.95 28.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.428 ' CE ' ' HA ' ' A' ' 110' ' ' HIS . 23.4 mtmt -56.1 -15.17 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.641 HD11 ' OD1' ' A' ' 118' ' ' ASP . 2.6 tp -92.91 -70.79 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.42 ' CE ' HG22 ' A' ' 111' ' ' ILE . 39.4 mtm -42.51 -36.62 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.547 ' HG3' ' N ' ' A' ' 117' ' ' SER . 8.0 ptmm? -51.89 -48.91 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.547 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.0 OUTLIER -117.87 15.98 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.641 ' OD1' HD11 ' A' ' 114' ' ' LEU . 16.1 t70 -102.05 -62.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.586 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.1 t -95.17 -52.53 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.533 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -35.0 -49.22 1.08 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.751 . . . . 0.0 110.909 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.7 Cg_exo -48.02 -62.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.712 2.274 . . . . 0.0 112.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -57.52 -48.57 78.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -40.84 -43.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.31 -41.52 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -56.68 -46.92 80.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -65.43 152.59 43.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 130' ' ' GLN . 4.8 m -72.87 -32.18 65.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.27 -38.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.76 -45.65 42.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' SER . 48.5 mm-40 -59.91 -39.95 87.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.2 mm-40 -37.65 -60.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.665 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.2 mm? -47.35 -62.04 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 13' ' ' LYS . 12.3 mt -34.59 -63.22 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 135' ' ' GLY . 28.6 t -66.04 -64.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 134' ' ' SER . . . 37.59 -103.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 163.84 36.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.7 t -111.63 131.56 55.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 91.5 p -115.27 107.21 14.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -130.02 158.16 40.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -121.8 121.28 36.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.6 -68.56 3.51 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -162.38 177.89 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -107.31 147.03 30.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.36 132.74 35.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 12' ' ' VAL . 41.9 m -97.03 -45.01 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -48.49 -53.68 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -61.06 -45.56 94.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -55.16 -46.58 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 15' ' ' TRP . 71.7 t -50.45 -57.83 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -43.98 -42.13 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -48.37 -36.28 14.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -76.07 17.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 14' ' ' ARG . . . -96.2 23.01 36.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' CD ' ' A' ' 21' ' ' GLU . 31.3 m-85 -135.97 102.01 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.567 ' O ' ' CE1' ' A' ' 120' ' ' TYR . . . 59.22 -146.23 43.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.537 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 20.4 ttp -115.33 -35.02 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -33.47 -70.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.497 ' CD ' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.64 -32.13 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 19' ' ' MET . . . -66.43 -35.19 79.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD13 ' CH2' ' A' ' 48' ' ' TRP . 4.4 mt -81.38 -39.95 24.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -41.44 -65.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -76.1 150.1 82.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -51.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 87.4 t -53.17 -46.88 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.62 -31.38 74.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 33.8 mtm180 -67.19 -48.79 66.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.5 pt-20 -71.67 -44.21 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 8.7 mm-40 -53.94 -59.74 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.642 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 16.9 t80 -53.59 -36.78 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -62.01 -57.14 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . 31.3 mttm -34.94 -53.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -56.46 -54.46 45.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 84.6 mt -39.88 -50.97 2.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -45.01 -40.89 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -60.78 -48.9 79.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.58 16.29 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 52.03 37.85 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 t -117.94 17.79 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.5 p -62.31 -37.52 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.6 -47.68 84.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.473 ' O ' HG21 ' A' ' 111' ' ' ILE . 13.6 m-20 -42.08 -52.56 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' ARG . 40.9 tp -78.47 -53.2 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' LEU . 24.8 mtp180 -35.6 -49.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.526 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 10.9 t80 -65.14 -47.62 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.528 ' CH2' HD13 ' A' ' 23' ' ' LEU . 64.8 t90 -50.46 -51.62 45.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.82 -44.85 96.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.49 -52.72 7.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.89 -47.19 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 55' ' ' LYS . 35.4 mt-10 -51.69 -55.4 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD1' ' HG2' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -56.7 -43.14 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 31.8 tp -39.41 -53.29 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.519 ' CG ' ' HB3' ' A' ' 101' ' ' ARG . 23.6 mtmt -55.31 -47.32 75.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -62.12 -38.95 90.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 16.5 mmt180 -52.16 142.06 28.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.551 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.72 161.97 43.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.9 tp -52.24 -33.46 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -68.18 -32.39 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -110.15 11.37 23.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.0 t -72.69 -58.26 2.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.624 0.726 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.78 -50.85 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.339 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.1 m -42.91 -38.83 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.3 tpt180 -76.05 -43.34 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 62' ' ' VAL . 42.2 t -37.71 -66.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.409 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 18.7 pt20 -55.65 -46.88 77.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.9 mm-40 -49.41 -61.81 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.9 mt -45.55 -45.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.669 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -74.16 -24.92 59.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.756 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 23.9 mt-30 -82.8 -6.57 59.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -111.14 -48.5 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 34.4 m-85 -98.01 -65.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.956 HD13 HG21 ' A' ' 92' ' ' THR . 33.6 mt -70.86 18.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.756 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -112.79 140.68 24.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.62 56.34 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.68 17.05 2.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -83.32 159.14 62.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.581 0.705 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.529 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.8 Cg_endo -69.71 -49.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.423 ' OG ' ' CE1' ' A' ' 73' ' ' PHE . 52.8 p -100.52 18.92 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.888 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -51.98 134.6 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.9 pt -112.76 -179.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.43 125.73 39.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.5 mt -118.64 177.63 4.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.64 176.24 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.5 m -69.17 -49.75 53.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 88' ' ' SER . 20.7 pttp -67.72 -44.15 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 26.5 m -61.15 -61.86 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -48.16 -58.21 4.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -48.54 -56.01 9.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -47.22 -48.33 24.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.956 HG21 HD13 ' A' ' 74' ' ' LEU . 90.4 m -56.25 -65.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' THR . 18.7 m -37.46 -45.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 2.9 t-80 -68.56 -44.28 74.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -59.31 -45.51 91.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' LYS . 96.8 t -39.87 -38.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 94' ' ' HIS . 15.5 mmtm -36.54 -44.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -108.68 115.14 58.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.697 0.761 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.96 31.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 2.282 . . . . 0.0 112.299 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.51 -148.09 5.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.519 ' HB3' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -117.83 -36.87 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.6 16.92 21.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.4 m -55.23 -49.75 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.544 ' CE1' HD12 ' A' ' 74' ' ' LEU . 63.3 m-85 -90.34 16.98 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -52.4 41.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -53.09 -65.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.09 -42.62 39.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -51.47 -39.08 56.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.488 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 17.7 tt0 -68.74 -54.61 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -43.45 -56.65 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.473 HG21 ' O ' ' A' ' 44' ' ' ASN . 46.6 mm -56.35 -44.3 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 4.1 t80 -55.9 -55.75 28.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.488 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 7.1 mtmp? -58.21 -11.52 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.634 HD12 ' OD1' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -96.19 -68.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.449 ' CE ' HG22 ' A' ' 111' ' ' ILE . 31.2 mtm -48.79 -29.36 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.529 ' HG3' ' N ' ' A' ' 117' ' ' SER . 10.3 ptmm? -54.85 -46.28 74.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.529 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 7.5 t -115.83 16.58 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.634 ' OD1' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -103.73 -61.77 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.533 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 49.9 m -97.26 -54.94 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.613 ' CE1' HD11 ' A' ' 124' ' ' ILE . 4.7 t80 -33.35 -51.27 0.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.692 0.758 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 64.6 Cg_exo -47.95 -62.91 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.623 2.216 . . . . 0.0 112.376 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 125' ' ' ARG . 31.2 mtt85 -56.67 -51.91 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 122' ' ' ARG . 28.7 t80 -35.38 -39.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 120' ' ' TYR . 59.7 mt -74.44 -41.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 122' ' ' ARG . 14.0 mmt180 -61.37 -46.27 90.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.7 m -58.34 175.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 130' ' ' GLN . 37.9 m -91.68 -35.21 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.66 -34.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HD2' ' CE2' ' A' ' 123' ' ' PHE . 7.8 t80 -85.41 -42.41 14.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 133' ' ' LEU . 55.5 mm-40 -62.32 -52.49 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 16.9 pt-20 -37.56 -39.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.503 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 46.7 mt -64.57 -46.33 83.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 130' ' ' GLN . 16.3 mt -55.05 -60.02 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.1 t -57.78 -51.08 71.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.99 99.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 90.23 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.7 p -99.04 127.13 44.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.3 p -86.25 139.9 30.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -53.05 -44.59 67.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -53.15 111.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.62 -50.87 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 m -87.88 -60.34 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.823 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -81.7 137.19 35.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.78 170.51 23.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.0 m -54.02 -42.97 69.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -41.46 -42.3 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.94 -50.67 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -53.8 -51.12 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' HG ' ' A' ' 133' ' ' LEU . 83.3 t -40.73 -55.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -47.11 -39.17 12.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -50.53 -32.38 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 2.7 m0 -76.04 10.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.36 3.94 54.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -125.38 102.55 7.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.53 ' O ' ' CZ ' ' A' ' 120' ' ' TYR . . . 56.94 164.48 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.551 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 41.0 ttp -75.49 -43.62 48.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.569 ' HA ' HD12 ' A' ' 23' ' ' LEU . 10.4 t70 -32.92 -43.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.47 -60.16 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.25 -46.52 17.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 20' ' ' ASP . 14.1 mt -56.98 -49.97 74.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -43.17 -59.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.17 145.75 88.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.258 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.422 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 88.9 t -63.04 -46.41 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.3 -26.9 45.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -69.23 -48.24 62.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 5.9 pt-20 -71.1 -43.49 67.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.428 ' OE1' HD21 ' A' ' 132' ' ' LEU . 34.1 mm-40 -52.47 -59.0 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.563 ' O ' HD13 ' A' ' 36' ' ' LEU . 44.1 t80 -54.19 -34.86 61.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.1 tp -66.05 -54.37 26.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' LEU . 29.7 mttm -35.02 -56.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -56.79 -53.57 56.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 32' ' ' PHE . 5.9 mp -40.76 -50.9 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -47.14 -38.59 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 m -68.52 -50.57 51.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -80.54 15.48 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 52.01 42.3 30.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.8 t -112.93 -12.43 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.475 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 41.4 p -40.74 -37.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.49 -40.8 92.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' SER . 7.9 m-20 -54.23 -55.92 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' ARG . 31.6 tp -71.57 -55.3 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' LEU . 24.1 mtp180 -37.46 -44.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.47 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 7.2 t80 -65.65 -47.08 76.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.545 ' CH2' HD13 ' A' ' 23' ' ' LEU . 25.9 t90 -52.72 -60.2 3.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.2 mt -53.03 -52.26 59.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.94 -42.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.1 -53.17 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -50.06 -52.01 37.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.9 t70 -64.06 -47.91 78.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 65' ' ' ARG . 33.1 tp -37.59 -52.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -52.01 -52.68 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -46.31 -43.75 16.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -52.39 145.29 20.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 164.81 33.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.297 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.415 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 7.2 tp -50.4 -38.59 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -60.51 -28.59 68.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -112.71 15.12 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.677 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -75.67 -58.9 1.3 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.77 -51.02 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.0 m -43.48 -39.23 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.533 ' HB3' HD13 ' A' ' 54' ' ' LEU . 28.6 mmm-85 -80.42 -45.15 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 62' ' ' VAL . 17.9 t -33.8 -64.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.0 pt20 -59.94 -51.1 71.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.1 mm-40 -44.9 -64.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.6 mt -50.56 -42.01 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.609 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.23 -19.49 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.933 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 30.4 mt-30 -92.4 -2.22 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.582 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 2.4 tp10 -97.89 -46.07 6.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 80' ' ' SER . 0.3 OUTLIER -117.93 -38.99 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 44.4 mt -83.42 18.03 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.933 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -117.07 149.22 43.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.71 . . . . 0.0 111.093 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.404 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.47 43.6 3.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.525 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -113.81 154.03 45.92 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.586 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 55.4 m -87.21 18.02 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 73' ' ' PHE . . . -45.2 108.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 73' ' ' PHE . 12.0 pt -91.89 -177.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -129.71 131.59 46.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.2 mt -123.21 171.33 9.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' SER . 27.9 t70 -78.38 141.39 38.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' ASP . 74.1 m -38.07 -43.61 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -63.08 -59.68 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 t -55.37 -58.79 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -46.7 -48.66 20.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.21 -63.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -48.94 -48.1 43.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.3 m -58.41 -65.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.3 m -38.18 -46.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -66.34 -43.96 84.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -60.49 -45.28 94.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.584 HG21 ' CE3' ' A' ' 70' ' ' TRP . 98.8 t -38.87 -42.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -37.95 -43.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.93 115.97 61.56 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.67 0.748 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.44 4.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.27 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.92 -166.12 10.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -97.61 -46.53 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -95.53 17.98 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.6 m -56.97 -44.32 82.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' A' ' 74' ' ' LEU . 77.8 m-85 -95.45 17.51 14.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.7 -58.86 5.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.24 -65.13 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.22 -51.98 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 65.9 tt0 -45.33 -38.49 5.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 22.1 tt0 -71.26 -44.01 66.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -54.16 -51.86 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.17 -41.91 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.2 t80 -56.07 -55.05 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.2 mtmp? -58.43 -12.47 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -94.46 -64.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.421 ' HE2' ' HB2' ' A' ' 115' ' ' MET . 33.9 mtm -49.21 -33.93 13.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.536 ' HG3' ' N ' ' A' ' 117' ' ' SER . 8.7 ptmm? -52.55 -49.88 64.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.536 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 26.1 t -117.51 14.91 14.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 114' ' ' LEU . 18.7 t70 -102.48 -59.93 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.552 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 41.2 m -96.75 -52.66 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.831 ' O ' HD12 ' A' ' 124' ' ' ILE . 1.7 t80 -34.53 -50.44 1.0 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.642 0.734 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.552 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.0 Cg_exo -47.94 -56.68 2.89 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -55.95 -45.04 78.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -42.87 -42.23 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.1 mp -70.27 -37.28 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -59.08 -57.28 13.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 t -61.1 172.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' GLN . 57.9 m -91.23 -31.21 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.88 -38.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -77.64 -41.85 36.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 127' ' ' SER . 34.4 mm-40 -63.69 -34.58 78.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 130' ' ' GLN . 4.1 mm-40 -35.66 -65.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.794 ' H ' HD22 ' A' ' 132' ' ' LEU . 0.6 OUTLIER -49.64 -49.79 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.484 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 4.9 mt -51.89 -59.04 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 t -53.64 -56.52 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' A' ' 137' ' ' SER . . . 62.15 101.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 137' ' ' SER . 54.2 Cg_endo -69.73 16.74 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 135' ' ' GLY . 34.2 p -33.46 -44.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 39.4 m -116.02 159.19 21.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -57.84 170.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -154.61 162.0 41.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.46 -146.93 10.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.443 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -61.53 142.31 57.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.899 0.38 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' GLY . 63.6 p -92.94 -42.58 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.3 64.06 0.41 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -113.06 -37.9 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -42.84 -42.55 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.24 -38.68 75.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -64.48 -41.43 96.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.778 HG21 ' HB3' ' A' ' 132' ' ' LEU . 97.2 t -58.92 -46.68 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -44.47 -45.14 9.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -48.57 -36.79 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.676 ' CE3' HG13 ' A' ' 12' ' ' VAL . 5.1 m0 -68.57 -26.51 65.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.23 26.81 2.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -117.98 -32.86 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' MET . . . 168.23 147.0 5.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.571 ' O ' ' N ' ' A' ' 22' ' ' ALA . 8.9 ptm -36.24 -58.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' MET . 26.8 t0 -32.18 -49.29 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -60.57 -42.39 96.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -70.44 -44.16 68.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.595 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 15.3 mt -53.9 -53.78 47.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -59.94 -32.74 71.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 4.1 t70 -86.89 137.81 33.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -51.17 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.757 2.304 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.6 t -63.59 -37.47 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.73 -33.41 80.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -65.8 -48.54 71.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 6.2 pt-20 -72.6 -46.05 56.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 87.7 mm-40 -55.26 -55.9 26.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.535 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 43.0 t80 -56.31 -28.65 59.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -72.19 -48.11 45.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -38.98 -60.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 126' ' ' SER . 18.9 t80 -54.7 -47.34 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.487 ' HB3' ' CA ' ' A' ' 42' ' ' SER . 0.6 OUTLIER -50.61 -58.15 6.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -44.63 -42.46 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 m -62.55 -50.37 71.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.42 11.75 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 52.72 40.12 29.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' SER . 96.6 p -111.58 -24.6 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.487 ' CA ' ' HB3' ' A' ' 36' ' ' LEU . 17.5 t -35.87 -45.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 42' ' ' SER . 22.0 mt-10 -33.65 -52.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.73 -55.97 21.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.27 -61.54 2.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -40.13 -47.21 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -60.55 -45.08 95.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.595 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 9.5 t90 -56.32 -58.16 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.6 mt -55.77 -42.78 75.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.9 -47.7 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.074 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.75 -47.32 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' OE2' ' NE2' ' A' ' 108' ' ' GLN . 0.1 OUTLIER -50.12 -48.82 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.1 m-20 -66.47 -44.93 81.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 58.2 tp -35.45 -53.93 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -52.98 -48.02 67.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -55.93 -42.93 76.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -52.96 140.92 40.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.43 53.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.855 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -48.09 -34.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -62.82 -32.48 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.79 14.29 18.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.526 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.73 -58.64 2.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.676 0.75 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.4 Cg_endo -69.73 -51.57 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.9 m -43.19 -38.53 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.9 tpt180 -74.97 -45.57 41.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.469 HG21 ' HA ' ' A' ' 99' ' ' PRO . 46.1 t -33.86 -66.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -55.52 -45.82 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 71' ' ' GLN . 5.6 mm-40 -53.24 -62.05 1.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 54' ' ' LEU . 36.7 mt -47.54 -37.18 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.599 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -83.18 -16.35 46.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.956 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 8.9 mm-40 -92.31 -5.07 52.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.582 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.0 tp10 -95.6 -47.58 6.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.679 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -118.0 -38.36 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.599 HD12 ' HB2' ' A' ' 70' ' ' TRP . 17.8 mt -83.37 17.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.956 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.83 151.03 45.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 111.123 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -54.64 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.44 52.06 2.73 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -122.08 154.63 61.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.573 0.701 . . . . 0.0 111.057 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.57 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.628 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 1.6 m -86.81 18.0 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.59 110.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.679 HG23 ' HB3' ' A' ' 73' ' ' PHE . 8.6 pt -95.58 -177.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -131.32 127.81 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.508 HD21 HD11 ' A' ' 111' ' ' ILE . 24.6 mt -123.09 162.48 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.42 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 7.1 t0 -62.71 137.59 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -40.49 -37.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -69.72 -58.52 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 p -53.14 -59.5 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -45.41 -62.57 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -42.46 -52.53 4.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -58.44 -57.11 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 93' ' ' THR . 78.7 m -51.63 -61.72 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 92' ' ' THR . 22.2 m -34.68 -49.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -64.82 -48.94 72.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.499 ' ND2' ' OD2' ' A' ' 106' ' ' ASP . 89.9 m-20 -54.85 -44.59 74.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 98' ' ' GLU . 96.5 t -40.63 -56.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 96' ' ' VAL . 6.8 mptt -33.53 -36.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 96' ' ' VAL . 9.2 mt-10 -95.52 104.59 16.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.74 116.12 4.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.03 -150.03 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -113.44 -38.0 4.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -104.44 16.59 25.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.4 m -56.39 -41.52 76.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.455 ' HE1' HD12 ' A' ' 74' ' ' LEU . 91.4 m-85 -86.3 -9.5 56.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PHE . 29.3 tt0 -33.48 -42.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.499 ' OD2' ' ND2' ' A' ' 95' ' ' ASN . 2.5 m-20 -64.84 -61.53 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.22 47.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.551 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 35.8 tt0 -43.33 -38.47 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -67.46 -53.96 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 7.0 t60 -44.32 -49.37 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.508 HD11 HD21 ' A' ' 84' ' ' LEU . 45.9 mm -66.51 -43.93 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -51.49 -65.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.509 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 39.1 mtmt -45.79 -34.42 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' A' ' 118' ' ' ASP . 2.3 tp -69.94 -69.29 0.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 116' ' ' LYS . 72.0 mtm -41.53 -39.86 1.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.509 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 26.9 mtpt -35.72 -68.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.483 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 4.4 t -114.53 17.87 17.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.545 ' CG ' HD11 ' A' ' 114' ' ' LEU . 33.5 t70 -98.87 -65.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.599 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.4 p -90.01 -52.37 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.615 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 25.9 t80 -33.15 -49.69 0.65 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.698 0.761 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 65.9 Cg_exo -47.97 -59.37 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 49.3 mtt-85 -48.19 -50.96 27.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 44.1 t80 -37.54 -57.78 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.573 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 55.5 mt -56.29 -59.87 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.07 -42.37 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.465 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 5.5 t -66.29 147.24 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.5 t -68.03 -35.39 78.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -37.52 -41.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -68.75 -53.86 19.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 131' ' ' GLU . 31.3 mm-40 -53.93 -37.78 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 130' ' ' GLN . 6.4 mm-40 -35.17 -61.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.778 ' HB3' HG21 ' A' ' 12' ' ' VAL . 1.7 mm? -52.49 -61.54 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.7 mt -39.33 -63.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.5 t -55.12 -54.23 45.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -122.06 98.99 0.65 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.17 20.73 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.5 m -146.92 130.88 17.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.1 m -138.31 172.45 12.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -87.45 17.98 4.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m -86.6 -60.64 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.09 98.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -100.77 133.55 45.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 p -139.24 156.5 47.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.93 -95.26 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.9 m -50.26 -42.88 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 133' ' ' LEU . 43.3 tt0 -40.62 -41.68 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -60.45 -50.14 74.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 8.6 mpt_? -58.36 -48.25 81.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.674 HG11 ' HB2' ' A' ' 132' ' ' LEU . 57.5 t -50.36 -53.2 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -57.13 -48.45 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.2 mmt-85 -43.63 -46.28 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.53 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 2.0 m0 -57.1 -50.61 72.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.8 -24.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' TRP . 56.0 m-85 -76.9 13.91 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' TRP . . . 122.08 170.09 13.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.547 ' HG2' HD21 ' A' ' 23' ' ' LEU . 16.9 ttp -68.74 -42.32 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 19' ' ' MET . 5.6 m-20 -32.71 -45.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 63.5 mm-40 -69.56 -43.6 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -64.86 -31.91 73.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.922 HD13 ' CH2' ' A' ' 48' ' ' TRP . 45.4 mt -71.89 -55.98 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.1 ptmm? -54.33 -33.94 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -92.33 142.02 25.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.31 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.721 2.28 . . . . 0.0 112.339 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.09 -44.77 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.83 -28.72 68.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' CZ ' ' CD2' ' A' ' 49' ' ' LEU . 20.8 mtt180 -69.8 -49.85 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.308 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.3 pt-20 -70.36 -44.1 68.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 61.8 mm-40 -52.81 -61.35 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.601 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 14.5 t80 -54.39 -36.55 64.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.6 tp -63.25 -53.11 58.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' LEU . 67.2 mttt -35.99 -53.92 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 33.6 t80 -56.6 -45.15 81.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.601 HD21 ' CZ ' ' A' ' 32' ' ' PHE . 42.1 mt -48.33 -57.33 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -42.19 -38.98 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -61.87 -50.04 73.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.613 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 4.8 pt-20 -85.76 12.08 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.613 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 51.21 40.94 27.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.446 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 22.9 m -117.96 16.16 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 m -68.39 -38.35 81.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' CA ' ' OE1' ' A' ' 43' ' ' GLU . 1.5 mm-40 -41.83 -49.16 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -47.51 -56.38 7.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 48' ' ' TRP . 25.1 tp -67.26 -54.45 20.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' LEU . 3.1 mmp_? -36.14 -51.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 7.1 t80 -61.75 -42.24 98.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.922 ' CH2' HD13 ' A' ' 23' ' ' LEU . 24.2 t90 -56.29 -61.85 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' CD2' ' CZ ' ' A' ' 29' ' ' ARG . 74.0 mt -51.12 -46.65 61.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.29 -55.98 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.88 -54.13 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -40.01 -44.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' LEU . 4.4 t70 -73.12 -41.79 63.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASP . 50.5 tp -37.35 -46.59 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -49.58 77.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -57.86 -39.36 77.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -51.97 151.92 6.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.474 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.83 163.4 38.48 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.025 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.99 -27.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -72.94 -30.76 64.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -105.66 9.81 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.524 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -74.78 -58.64 1.63 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.6 Cg_endo -69.73 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.404 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -47.45 -34.86 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' VAL . 4.8 mmm180 -78.97 -43.53 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.537 HG21 ' HA ' ' A' ' 99' ' ' PRO . 25.3 t -32.85 -64.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 21.6 pt20 -60.17 -47.73 84.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 23.3 mm-40 -45.97 -59.04 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.3 mt -51.5 -41.57 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.69 -17.96 61.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.94 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 36.1 mt-30 -94.54 -0.62 54.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.561 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 15.1 tt0 -101.39 -44.94 5.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 0.8 OUTLIER -117.6 -38.81 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.575 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 57.1 mt -85.0 17.99 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.94 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -119.82 142.71 33.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.052 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 137.73 36.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.67 -16.28 15.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -52.09 159.82 1.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.552 0.692 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.6 Cg_endo -69.77 -44.7 1.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.238 . . . . 0.0 112.304 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.603 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 11.9 m -101.18 18.08 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -45.79 103.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 80' ' ' SER . 8.1 pt -91.37 -177.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -126.39 139.92 52.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 69.9 mt -128.64 177.67 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' SER . 43.8 t0 -84.6 131.53 34.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' ASP . 25.2 m -36.4 -36.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -70.28 -64.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 m -54.36 -53.88 48.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -48.45 -51.74 25.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -48.37 -57.56 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -52.12 -49.06 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' THR . 25.5 m -56.95 -60.67 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' THR . 11.1 m -36.07 -55.28 0.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -65.31 -46.05 81.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -52.31 -44.05 64.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' LYS . 90.4 t -46.86 -42.04 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' VAL . 15.8 mmtp -35.18 -47.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -100.94 114.5 65.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.537 ' HA ' HG21 ' A' ' 66' ' ' VAL . 54.4 Cg_endo -69.71 118.65 5.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 0.0 112.375 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.48 -148.18 5.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -116.45 -37.12 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -109.9 18.04 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.2 m -51.72 -41.26 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -91.65 17.91 8.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -47.07 -50.52 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.28 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.42 ' NE2' ' CD1' ' A' ' 48' ' ' TRP . 8.4 tp60 -37.75 -43.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 112' ' ' TYR . 25.1 tt0 -68.27 -60.7 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 109' ' ' GLU . 43.5 t60 -36.51 -54.23 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.695 HG22 ' CE ' ' A' ' 115' ' ' MET . 48.7 mm -55.79 -42.72 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 7.1 t80 -55.53 -56.82 15.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.482 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -55.12 -14.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.639 HD11 ' OD2' ' A' ' 118' ' ' ASP . 2.3 tp -93.58 -70.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.695 ' CE ' HG22 ' A' ' 111' ' ' ILE . 51.3 mtm -44.31 -35.28 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.534 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.5 ptmt -51.2 -49.2 61.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.534 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.6 t -116.88 17.94 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.639 ' OD2' HD11 ' A' ' 114' ' ' LEU . 50.8 t0 -98.0 -67.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.572 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -95.66 -49.81 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.824 ' O ' HD12 ' A' ' 124' ' ' ILE . 1.4 t80 -34.64 -49.92 1.02 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.572 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.9 Cg_exo -47.95 -54.63 4.94 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.264 . . . . 0.0 112.3 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -59.89 -38.74 83.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -48.65 -44.75 37.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.824 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.3 mp -65.6 -53.36 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.22 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.9 t -63.03 148.86 46.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' ALA . 3.1 m -67.81 -37.82 82.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.09 -40.27 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.3 -59.54 2.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 131' ' ' GLU . 35.7 mm-40 -49.12 -44.14 42.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 130' ' ' GLN . 7.3 mt-10 -36.25 -43.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.674 ' HB2' HG11 ' A' ' 12' ' ' VAL . 12.7 mt -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.409 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 22.7 mt -46.18 -60.44 2.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 43.7 t -59.63 -59.08 6.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 137' ' ' SER . . . 70.88 71.49 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 135' ' ' GLY . 80.0 p -132.44 175.99 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.0 m -78.45 -46.15 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 p -68.61 -55.32 11.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -104.23 175.91 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.34 93.18 1.56 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -116.33 -37.97 3.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.877 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 m -77.96 125.3 29.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.23 90.66 1.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.8 t -91.24 -41.04 11.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -43.09 -45.97 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -68.88 -40.33 79.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -42.64 86.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.549 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 90.7 t -59.54 -58.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -46.11 -46.12 16.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -42.26 -41.53 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CE3' ' HA ' ' A' ' 12' ' ' VAL . 6.9 m0 -62.81 -41.35 99.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.3 -20.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' TRP . 39.5 m-85 -79.24 15.22 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.558 ' C ' ' CE2' ' A' ' 120' ' ' TYR . . . 109.75 166.98 19.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.58 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 27.7 ttp -59.97 -43.15 95.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 19' ' ' MET . 9.0 p-10 -32.22 -41.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' OE1' ' CD ' ' A' ' 24' ' ' LYS . 63.2 mm-40 -76.91 -66.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -36.04 -35.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD13 ' CH2' ' A' ' 48' ' ' TRP . 81.2 mt -66.73 -55.35 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -49.13 -36.7 19.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.479 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 19.0 t70 -85.59 141.12 36.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.656 0.741 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.75 -45.4 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 31' ' ' GLN . 98.2 t -69.67 -57.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.39 -29.18 2.49 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -67.24 -48.8 66.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.5 pt-20 -69.75 -43.69 71.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HG2' HG12 ' A' ' 27' ' ' VAL . 18.1 mm100 -53.54 -60.45 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CE1' HD11 ' A' ' 36' ' ' LEU . 20.4 t80 -50.8 -38.11 46.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -62.25 -54.2 44.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . 33.4 mttm -35.24 -61.85 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -47.02 -54.55 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD11 ' CE1' ' A' ' 32' ' ' PHE . 8.9 mp -47.4 -58.13 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -38.75 -35.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -71.26 -50.0 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 41' ' ' SER . 10.4 pt-20 -77.84 11.22 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 53.66 43.28 31.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.468 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 3.1 m -115.71 -21.4 9.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLU . 59.8 p -34.83 -44.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' SER . 1.3 mm-40 -35.07 -48.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -53.21 -57.73 9.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' ARG . 24.6 tp -65.51 -56.42 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LEU . 36.6 mtp180 -34.92 -43.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.571 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.8 t80 -69.38 -49.82 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 16.1 t90 -50.08 -63.11 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -47.52 -46.85 27.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.78 -43.37 37.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.42 -54.86 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 32.2 mm-40 -41.84 -42.03 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 54' ' ' LEU . 10.2 t0 -75.73 -43.61 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 69' ' ' ILE . 59.5 tp -34.4 -65.42 0.2 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -49.12 -48.89 44.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -52.36 -40.23 61.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -53.7 152.66 9.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.548 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.74 163.06 39.65 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.87 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -55.16 -29.05 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -71.95 -31.87 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -108.32 10.72 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -73.28 -58.61 2.36 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.3 Cg_endo -69.7 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.6 m -41.87 -36.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' VAL . 16.3 mmt-85 -82.08 -42.92 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 62' ' ' VAL . 23.3 t -32.74 -65.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 6.1 pt20 -61.52 -48.47 80.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 67.4 mm-40 -46.49 -63.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.475 ' CD1' HD13 ' A' ' 54' ' ' LEU . 25.3 mt -47.52 -44.01 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.519 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -71.79 -18.79 62.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.976 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 22.8 mt-30 -92.09 -2.12 56.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.549 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 11.0 tt0 -107.04 -39.5 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 4.4 m-85 -117.99 -42.14 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 70' ' ' TRP . 18.0 mt -86.55 17.78 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.976 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -111.66 149.84 41.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -54.37 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -91.6 53.88 3.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.443 ' HB1' ' HD2' ' A' ' 79' ' ' PRO . . . -122.62 156.16 61.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.542 0.687 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.7 Cg_endo -69.78 -52.76 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.603 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -87.06 18.0 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.13 109.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.9 pt -94.29 -176.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -130.57 130.94 44.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 111' ' ' ILE . 37.5 mt -123.7 165.23 17.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.82 165.06 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.9 p -67.22 -44.85 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 88' ' ' SER . 14.4 ptpt -72.36 -43.01 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 67.6 m -63.87 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -46.68 -47.96 20.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.66 -52.64 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -51.92 -48.81 64.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.6 m -61.04 -52.18 66.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.7 m -39.72 -47.45 2.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -67.46 -44.45 78.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.619 ' HB3' HG23 ' A' ' 103' ' ' THR . 89.8 m-20 -58.63 -41.27 85.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.485 HG21 ' CE3' ' A' ' 70' ' ' TRP . 88.5 t -47.55 -46.06 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -39.77 -43.24 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.85 116.17 62.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HA ' HG21 ' A' ' 66' ' ' VAL . 54.0 Cg_endo -69.77 140.77 43.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.616 2.211 . . . . 0.0 112.362 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.75 -151.05 6.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -114.3 -35.89 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' GLU . 5.4 m-85 -111.92 16.77 20.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.619 HG23 ' HB3' ' A' ' 95' ' ' ASN . 87.4 m -53.36 -38.12 63.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -98.89 17.63 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 5.4 tp10 -49.92 -51.95 37.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -60.98 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.91 -61.79 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.586 ' HG2' ' CD1' ' A' ' 48' ' ' TRP . 27.0 tt0 -44.81 -38.72 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -71.32 -47.0 59.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -52.32 -58.13 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.437 HD11 ' CD2' ' A' ' 84' ' ' LEU . 46.9 mm -59.51 -34.84 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -58.0 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 20.6 mtmt -50.03 -29.92 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.524 ' CD1' ' OD2' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -67.84 -74.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.467 ' O ' ' C ' ' A' ' 116' ' ' LYS . 65.8 mtm -37.97 -42.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 115' ' ' MET . 18.7 mtpp -32.98 -71.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 40.3 t -102.96 17.82 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.524 ' OD2' ' CD1' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -98.92 -66.07 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.559 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 20.4 m -93.38 -50.93 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 1.4 t80 -33.5 -50.7 0.76 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.668 0.747 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.559 ' HD2' ' C ' ' A' ' 119' ' ' SER . 65.5 Cg_exo -47.94 -53.96 5.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.378 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.504 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 42.8 mtt180 -61.44 -39.23 90.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -63.61 -40.62 97.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.95 -43.97 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.504 ' CG ' ' HA ' ' A' ' 122' ' ' ARG . 4.3 ppt_? -73.08 -30.15 63.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.484 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 83.8 p -66.53 128.32 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 128' ' ' ALA . 32.3 m -43.24 -41.44 3.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.36 -36.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 129' ' ' TYR . 4.0 t80 -81.91 -46.04 14.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -59.64 -52.75 64.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 17.5 pt-20 -43.09 -41.13 3.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.491 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 69.8 mt -62.08 -46.33 89.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.0 mt -50.93 -62.4 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.2 t -52.71 -53.45 47.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 111.18 117.89 3.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 144.02 52.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 60.5 p -158.35 161.14 37.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.6 p -42.15 -40.77 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -125.43 162.8 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.837 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -118.56 136.51 53.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.52 43.91 8.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 m -119.69 120.87 37.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -150.16 134.61 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.27 -40.42 6.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.54 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 t -44.61 -40.56 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.865 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -40.35 -41.73 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.38 -47.11 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -57.1 -54.6 44.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.5 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 67.1 t -42.28 -60.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HB2' HD21 ' A' ' 133' ' ' LEU . 45.9 tttt -49.08 -42.82 40.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' TRP . 8.8 tpt180 -53.97 -46.22 71.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 51.8 m0 -38.05 -35.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.3 -145.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 50.55 34.66 9.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.99 138.25 10.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 20' ' ' ASP . 45.4 ttp -39.94 -38.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 19' ' ' MET . 28.9 m-20 -32.68 -60.03 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' ALA . 15.8 mm-40 -56.88 -62.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -36.9 -42.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' CH2' ' A' ' 48' ' ' TRP . 39.5 mt -65.59 -55.01 19.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' LEU . 2.2 mptm? -37.05 -59.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 4.8 t70 -73.72 141.34 79.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 54.1 Cg_endo -69.82 -46.64 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.217 . . . . 0.0 112.378 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.24 -48.44 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.15 -28.09 40.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -68.59 -47.15 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.6 pt-20 -73.5 -43.53 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 48.3 mm-40 -56.4 -56.97 14.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 9.9 t80 -54.48 -35.2 62.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.0 tp -65.56 -54.62 25.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 37.6 mttm -35.09 -58.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 126' ' ' SER . 53.2 t80 -50.55 -48.62 57.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 32' ' ' PHE . 6.4 mp -54.35 -53.05 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -40.93 -42.83 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -61.11 -50.56 72.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.75 15.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 52.78 38.9 27.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' SER . 34.6 m -108.51 -19.95 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 30.9 p -37.01 -47.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' SER . 37.7 mt-10 -33.93 -61.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -40.03 -58.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ARG . 45.9 tp -65.73 -60.93 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' LEU . 63.5 mtt180 -35.47 -45.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.46 -51.17 64.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.558 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 9.8 t90 -50.75 -57.87 7.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.3 mt -51.99 -50.78 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.74 -43.69 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.12 -44.82 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 20.7 mm-40 -55.69 -50.1 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 54' ' ' LEU . 41.7 t0 -69.46 -40.44 77.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 67.1 tp -33.98 -56.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -51.69 -48.72 63.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . 27.3 mmtp -54.85 -41.71 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.933 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -52.31 147.37 13.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.822 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 160.84 48.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.621 2.214 . . . . 0.0 112.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.48 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 7.2 tp -53.42 -34.86 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.13 -29.81 70.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -113.52 14.46 19.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.1 t -72.55 -58.45 2.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.707 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.4 Cg_endo -69.79 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -44.05 -37.81 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.5 tpt180 -78.51 -44.9 23.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 62' ' ' VAL . 39.5 t -37.19 -65.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -58.86 -46.05 88.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -47.12 -64.66 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.6 mt -46.05 -43.19 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.576 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -72.55 -24.69 61.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.779 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.1 mt-30 -83.09 -6.24 59.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 2.1 tp10 -108.09 -50.93 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 80' ' ' SER . 47.7 m-85 -98.01 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 92' ' ' THR . 31.1 mt -71.01 17.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -115.17 143.5 30.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 0.0 111.112 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . 53.5 Cg_endo -69.79 162.81 40.67 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.703 2.268 . . . . 0.0 112.385 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 42.87 21.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.671 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -84.55 155.38 62.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.553 0.692 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.408 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.83 -35.78 11.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.533 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 69.5 m -109.46 17.95 20.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -51.97 116.46 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.3 pt -95.1 -176.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -130.02 127.35 39.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.1 mt -126.67 174.1 8.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -63.87 169.33 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -64.57 -59.55 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -64.55 -44.53 90.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.1 m -56.07 -61.47 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -49.84 -53.67 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -54.42 -49.82 69.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -46.65 -57.99 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.584 HG21 HD13 ' A' ' 74' ' ' LEU . 96.0 m -52.7 -54.83 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.533 HG23 ' CH2' ' A' ' 70' ' ' TRP . 22.1 m -39.04 -39.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -74.09 -46.4 43.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.433 ' HB3' HG23 ' A' ' 103' ' ' THR . 23.9 m-20 -57.06 -44.01 82.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.438 HG21 ' CE3' ' A' ' 70' ' ' TRP . 89.5 t -39.69 -45.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 96' ' ' VAL . 28.5 mmtt -34.59 -45.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -100.39 116.7 64.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 120.02 6.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -150.23 -168.0 14.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -97.93 -48.61 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.25 17.88 11.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.433 HG23 ' HB3' ' A' ' 95' ' ' ASN . 81.9 m -54.85 -43.7 73.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.6 17.58 11.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -47.14 -48.38 23.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -52.24 -63.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.72 -54.77 9.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.558 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 59.7 tt0 -46.53 -40.6 12.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -66.53 -53.74 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -49.27 -57.43 6.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 48.2 mm -61.09 -45.05 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -47.58 -57.63 5.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.494 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 22.8 mtmt -56.65 -32.54 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.6 tp -68.84 -67.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 116' ' ' LYS . 73.6 mtm -41.58 -42.25 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.494 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 26.0 mtpt -33.62 -68.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 0.3 OUTLIER -113.49 17.98 17.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 31.7 t70 -98.23 -69.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.57 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 3.2 p -89.44 -51.21 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.731 ' CE1' HD11 ' A' ' 124' ' ' ILE . 2.2 t80 -33.73 -50.12 0.8 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.677 0.751 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.57 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.3 Cg_exo -47.99 -65.95 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -39.42 -51.05 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.581 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 13.0 t80 -39.24 -56.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.816 ' H ' HD12 ' A' ' 124' ' ' ILE . 4.7 mp -61.35 -38.12 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -58.38 -55.42 35.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.56 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 8.0 t -55.78 161.11 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 128' ' ' ALA . 4.8 m -81.78 -33.13 31.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.88 -42.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.414 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 14.8 t80 -67.87 -49.51 61.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -59.54 -44.7 93.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.75 -58.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.52 -46.8 73.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 13' ' ' LYS . 4.1 mt -50.89 -70.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.413 ' O ' ' OG ' ' A' ' 134' ' ' SER . 12.5 t 62.53 32.01 16.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 137' ' ' SER . . . -123.7 -75.67 0.3 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 20.53 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.383 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 135' ' ' GLY . 26.7 t -62.71 135.6 57.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 91.5 p -139.47 131.6 28.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -74.63 137.79 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -132.6 160.35 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.08 -41.52 22.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.4 p -82.48 17.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -60.57 147.07 42.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -85.03 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.509 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.9 m 63.47 31.99 14.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.428 ' HG2' ' NE2' ' A' ' 10' ' ' GLN . 35.8 tt0 -92.58 -60.54 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.428 ' NE2' ' HG2' ' A' ' 9' ' ' GLN . 1.9 mp0 -56.99 -41.94 79.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -52.21 -43.96 64.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.753 HG22 ' CH2' ' A' ' 15' ' ' TRP . 94.3 t -57.52 -46.57 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HB2' HD21 ' A' ' 133' ' ' LEU . 23.7 tptt -54.9 -39.8 69.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' CG ' ' OE1' ' A' ' 21' ' ' GLU . 9.4 tpt180 -49.32 -37.33 23.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.753 ' CH2' HG22 ' A' ' 12' ' ' VAL . 2.1 m0 -68.95 -25.89 64.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.49 11.3 4.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -103.35 -37.57 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.475 ' HA2' ' CE2' ' A' ' 120' ' ' TYR . . . 172.21 145.22 4.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' ASP . 42.4 ttp -37.75 -45.77 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' MET . 32.4 t0 -32.26 -57.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' LEU . 35.0 mm-40 -64.21 -64.0 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . -34.75 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' GLU . 40.5 mt -76.6 -55.22 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 1.2 ptmm? -47.88 -37.98 15.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 19.9 m-20 -83.48 144.09 45.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.642 2.228 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.66 -52.7 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.28 -31.18 8.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -65.22 -49.83 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.8 pt-20 -72.49 -44.58 62.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 47.6 mm-40 -55.08 -57.74 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.548 ' O ' HD13 ' A' ' 36' ' ' LEU . 36.1 t80 -52.35 -36.67 54.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.5 tp -66.24 -53.22 39.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 50.8 mttt -34.62 -59.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 38' ' ' SER . 60.8 t80 -55.29 -52.84 62.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 32' ' ' PHE . 5.6 mp -41.34 -52.36 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -45.05 -38.65 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 25.5 m -66.65 -52.33 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 2.9 pt-20 -78.7 15.81 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 51.93 44.76 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' SER . 38.9 t -116.08 -17.04 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 66.1 p -35.38 -38.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' ASN . 34.8 mt-10 -55.04 -57.35 12.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.1 m-20 -36.63 -61.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.2 tp -64.96 -53.08 51.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -40.63 -42.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 51' ' ' VAL . 19.4 t80 -70.24 -42.12 72.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.577 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 28.7 t90 -61.17 -54.17 47.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.22 -50.13 67.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.07 -44.29 31.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 47' ' ' PHE . 84.8 t -63.24 -48.84 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 24.1 mm-40 -52.09 -41.73 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 54' ' ' LEU . 85.7 m-20 -77.83 -41.41 37.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' ASP . 54.1 tp -35.16 -62.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.86 -44.16 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -55.91 -40.08 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -52.83 152.44 7.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.729 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.585 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.72 160.03 51.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.357 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 tp -52.79 -28.62 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -31.35 62.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.54 9.19 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -74.42 -58.82 1.76 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.77 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.2 m -43.62 -36.17 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' VAL . 1.9 tpt180 -78.54 -41.89 30.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 62' ' ' VAL . 37.5 t -36.76 -66.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 18.4 pt20 -54.74 -47.68 73.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 78.3 mm-40 -48.26 -64.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mt -42.19 -47.37 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.602 ' CE3' ' CB ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -70.62 -31.4 68.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.81 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.5 mt-30 -76.78 -7.64 55.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.551 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 17.9 tt0 -107.69 -49.27 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 75' ' ' ALA . 16.4 m-85 -97.98 -63.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.69 HD13 HG21 ' A' ' 92' ' ' THR . 54.9 mt -71.02 18.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.81 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -114.11 141.11 25.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 111.114 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.21 50.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.82 17.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.96 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -80.76 159.05 69.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.539 0.685 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.534 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.7 Cg_endo -69.77 -43.31 2.72 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.31 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.72 17.95 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.96 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -49.97 122.4 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.5 pt -101.96 -178.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -124.3 138.65 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 74' ' ' LEU . 16.2 mt -132.7 176.17 8.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -72.39 161.89 30.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 p -63.56 -48.68 76.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 88' ' ' SER . 11.0 ptpp? -67.38 -40.73 85.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 59.1 m -66.37 -60.58 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -44.21 -45.68 8.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.91 -54.02 50.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -47.98 -46.49 32.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.69 HG21 HD13 ' A' ' 74' ' ' LEU . 98.1 m -61.37 -62.04 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.0 m -40.46 -42.51 1.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.54 -43.28 85.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' VAL . 10.4 m-20 -64.38 -46.52 82.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LYS . 88.5 t -35.76 -39.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -34.57 -50.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -112.65 111.3 51.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 132.13 22.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.1 -137.83 3.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -117.8 -34.86 4.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -112.48 17.67 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 98.2 m -55.86 -39.04 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -97.51 17.51 17.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -52.23 -50.12 62.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.07 -58.36 7.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.26 -59.04 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.577 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 50.4 tt0 -44.57 -39.77 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -69.57 -49.68 51.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -48.94 -56.04 10.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.463 ' O ' ' HB3' ' A' ' 114' ' ' LEU . 45.8 mm -61.4 -49.67 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.409 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 37.0 t80 -43.07 -62.84 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.486 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 41.4 mtmt -49.95 -39.2 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.546 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER -63.08 -66.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 116' ' ' LYS . 74.1 mtm -39.57 -45.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 113' ' ' LYS . 8.6 mtpm? -33.23 -69.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.47 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.6 t -108.4 18.93 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.546 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 7.9 t0 -98.01 -70.88 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.607 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.1 t -92.16 -53.51 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.535 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 1.2 t80 -32.5 -49.84 0.56 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.738 0.78 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.607 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.6 Cg_exo -48.03 -59.62 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.234 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 123' ' ' PHE . 50.0 mmt-85 -47.18 -52.33 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 122' ' ' ARG . 5.5 t80 -35.22 -47.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 124' ' ' ILE . 5.0 mp -67.77 -50.07 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -48.41 -42.84 33.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 p -73.64 155.56 38.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' ALA . 5.8 m -80.29 -30.0 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.39 -44.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -75.08 -45.67 39.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -54.69 -48.62 72.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -40.55 -48.35 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.2 mp -54.57 -46.53 73.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 13' ' ' LYS . 12.4 mt -60.59 -62.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.7 t -46.9 -52.81 13.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 144.63 95.72 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 175.08 8.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.706 2.27 . . . . 0.0 112.355 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.0 t 53.38 42.62 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.1 t -90.93 -54.76 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 m 62.38 42.7 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -57.4 -57.44 12.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.12 135.13 4.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -120.85 150.41 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 t -42.66 -59.91 1.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.84 135.33 2.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -82.85 -43.72 16.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -50.94 -46.71 61.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -61.64 -46.34 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -55.52 -55.82 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.526 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . 94.2 t -42.57 -57.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -39.01 -45.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 16.0 mtt180 -52.64 -46.11 66.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.526 ' CD2' ' HA ' ' A' ' 12' ' ' VAL . 24.7 m0 -48.62 -28.57 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.26 28.96 2.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CD2' ' HA ' ' A' ' 14' ' ' ARG . 19.1 m-85 -116.38 15.34 15.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.17 151.08 9.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' ASP . 20.5 ttp -43.78 -48.62 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' MET . 2.4 t70 -34.71 -65.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.3 -50.84 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.79 -45.64 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD13 ' CH2' ' A' ' 48' ' ' TRP . 8.2 mt -67.22 -49.54 64.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' LEU . 16.1 mmtm -34.22 -62.07 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.459 ' CG ' ' HD2' ' A' ' 26' ' ' PRO . 19.9 t70 -69.5 141.78 91.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.0 Cg_endo -69.81 -45.32 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.17 -44.67 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.9 -29.55 59.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -64.58 -48.68 74.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -73.53 -41.64 62.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -58.02 -58.88 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.554 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 25.9 t80 -54.9 -33.2 61.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.3 tp -65.71 -55.91 14.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . 36.0 mttt -34.84 -56.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 49.3 t80 -51.46 -39.92 58.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 33' ' ' LEU . 44.4 mt -57.26 -61.04 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -37.15 -43.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -56.26 -54.68 42.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.599 ' OE2' ' CE2' ' A' ' 35' ' ' PHE . 15.3 pt-20 -82.29 11.26 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 55.71 39.02 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.403 ' CB ' ' HG3' ' A' ' 39' ' ' GLU . 81.3 p -117.33 17.26 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -69.52 -38.94 77.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HG3' HG22 ' A' ' 82' ' ' ILE . 5.9 pt-20 -45.19 -50.84 11.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -44.51 -43.14 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.61 -49.43 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' HD2' HH11 ' A' ' 46' ' ' ARG . 0.9 OUTLIER -43.13 -47.49 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -43.42 92.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.566 ' CH2' HD13 ' A' ' 23' ' ' LEU . 29.6 t90 -57.55 -50.16 74.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.09 -52.32 56.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.06 -46.0 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG11 ' OE1' ' A' ' 108' ' ' GLN . 89.7 t -62.64 -53.92 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -45.89 -37.12 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 56' ' ' LYS . 22.9 t70 -83.55 -42.07 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 53' ' ' ASP . 42.4 tp -32.33 -64.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -47.71 -42.3 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 53' ' ' ASP . 11.7 mmpt? -56.63 -40.8 76.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -53.64 150.04 14.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.702 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.717 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.2 Cg_endo -69.79 166.18 28.48 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.028 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.2 -31.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.13 -30.78 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -114.21 10.51 17.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.0 t -73.49 -58.22 2.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 54.1 Cg_endo -69.75 -51.47 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.1 m -42.11 -36.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -78.37 -41.81 32.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ARG . 43.3 t -35.05 -67.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.05 -45.23 87.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.9 mm-40 -50.87 -66.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.6 mt -40.88 -39.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.538 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.56 -32.11 57.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 1.009 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 26.8 mt-30 -81.51 -4.24 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 27.7 tt0 -96.2 -47.22 6.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 80' ' ' SER . 2.7 m-85 -117.92 -37.99 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.643 HD13 HG21 ' A' ' 92' ' ' THR . 28.2 mt -84.25 17.95 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.009 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -111.06 150.87 42.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 111.075 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.49 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.64 45.24 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -109.39 154.67 42.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 16.5 m -90.87 18.01 7.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -46.14 112.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' A' ' 73' ' ' PHE . 6.7 pt -95.11 -177.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -125.67 133.1 52.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.1 mt -129.8 174.01 10.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -66.07 176.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.9 p -79.47 -49.19 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -69.84 -41.95 74.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.487 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 45.6 m -61.4 -60.75 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -44.42 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -41.3 -58.21 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -49.53 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.643 HG21 HD13 ' A' ' 74' ' ' LEU . 89.1 m -53.7 -56.9 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.3 m -44.12 -43.4 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -71.4 -44.1 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.521 ' HB3' HG23 ' A' ' 103' ' ' THR . 79.1 m-20 -57.77 -47.8 81.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 92' ' ' THR . 88.8 t -40.24 -44.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -39.45 -45.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -98.48 113.64 64.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 122.31 8.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.22 -161.88 10.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -105.92 -36.6 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -103.1 16.65 26.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 95' ' ' ASN . 75.2 m -56.2 -35.86 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.421 ' CE1' HD12 ' A' ' 74' ' ' LEU . 83.9 m-85 -104.22 17.29 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -54.56 -42.46 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -64.15 -67.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.85 -49.41 29.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.513 ' OE1' HG11 ' A' ' 51' ' ' VAL . 33.2 tt0 -55.51 -36.92 67.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.518 ' O ' ' CD ' ' A' ' 113' ' ' LYS . 1.7 tt0 -69.3 -36.85 77.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 113' ' ' LYS . 16.0 t60 -59.87 -55.98 27.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.409 HG22 ' CE ' ' A' ' 115' ' ' MET . 41.3 mm -53.58 -31.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 17.1 t80 -58.08 -62.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.518 ' CD ' ' O ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -54.5 -15.03 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 118' ' ' ASP . 2.2 tp -89.97 -71.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.421 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 37.2 mtm -43.03 -37.87 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.531 ' HG3' ' N ' ' A' ' 117' ' ' SER . 6.4 ptmm? -54.01 -45.21 71.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.531 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 3.3 m -117.78 14.2 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 114' ' ' LEU . 17.4 t70 -103.34 -63.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.567 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 1.9 m -95.61 -50.69 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.799 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.547 ' N ' ' CD ' ' A' ' 121' ' ' PRO . 1.7 t80 -37.73 -48.42 2.69 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.667 0.746 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.567 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.2 Cg_exo -47.96 -55.49 3.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -64.38 -43.96 92.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 79.7 t80 -45.27 -39.16 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.6 mm -65.84 -39.78 85.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 121' ' ' PRO . 3.8 mpt_? -67.82 -47.09 70.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.5 p -52.06 161.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 128' ' ' ALA . 1.4 t -77.83 -36.11 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.79 -35.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -81.14 -44.5 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' GLU . 39.1 mm-40 -62.17 -55.14 31.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 8.3 pt-20 -36.72 -38.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.503 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 23.1 mt -65.99 -50.19 65.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.4 mt -55.8 -62.23 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.1 t -52.7 -48.03 66.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 78.88 94.86 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.31 2.85 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.0 t -56.19 150.77 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 m -51.04 -48.0 61.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.498 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -101.67 159.28 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 m -119.59 120.37 36.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.12 158.7 15.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t -72.72 -48.68 36.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -43.46 -51.32 6.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.01 -165.61 12.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 t -100.52 -37.73 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.896 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 133' ' ' LEU . 39.1 tt0 -43.84 -44.3 6.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.77 -41.68 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 11' ' ' ARG . 9.9 ttt180 -58.82 -55.88 29.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 87.2 t -41.48 -40.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -52.7 -49.2 65.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 30.4 mmt-85 -39.78 -52.97 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.575 ' CZ3' HG22 ' A' ' 12' ' ' VAL . 1.4 m0 -56.93 -42.01 79.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.33 -27.34 2.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -67.47 -47.03 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 120' ' ' TYR . . . 176.72 169.06 37.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.4 ' HG2' HD11 ' A' ' 23' ' ' LEU . 9.7 ttp -50.07 -46.21 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -41.63 -58.53 1.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 9.7 mm-40 -64.49 -26.01 68.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . . . -76.25 -31.02 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.638 HD22 ' CZ3' ' A' ' 48' ' ' TRP . 10.8 mt -81.75 -55.19 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 16.8 ptmt -38.17 -38.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -87.66 143.61 34.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.572 0.701 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.86 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.03 -45.09 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -28.34 51.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.665 HH21 HD13 ' A' ' 49' ' ' LEU . 36.4 mtp180 -66.87 -51.35 56.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 5.7 pt-20 -70.66 -44.4 67.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 59.4 mm-40 -55.41 -60.79 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 123' ' ' PHE . 4.6 t80 -54.72 -34.01 61.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.597 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.4 tp -64.53 -57.43 9.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 21.4 mttm -34.32 -63.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 25.8 t80 -42.71 -44.71 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 33' ' ' LEU . 48.1 mt -56.66 -51.9 66.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -39.08 -39.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 40.2 m -58.18 -61.9 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.573 ' OE2' ' CE2' ' A' ' 35' ' ' PHE . 11.0 pm0 -71.19 2.96 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 57.98 41.29 24.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' SER . 79.9 p -110.9 -20.78 12.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . 69.2 p -36.6 -41.46 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' SER . 24.6 pt-20 -37.03 -46.39 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 15.2 m-20 -55.42 -50.98 68.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' TRP . 53.0 tp -69.06 -58.65 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' LEU . 62.2 mtt180 -35.42 -47.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 1.3 t80 -64.39 -43.05 95.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.638 ' CZ3' HD22 ' A' ' 23' ' ' LEU . 57.4 t90 -56.82 -54.05 50.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.665 HD13 HH21 ' A' ' 29' ' ' ARG . 48.0 mt -57.55 -41.96 82.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.03 -43.0 66.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.466 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 85.5 t -58.98 -48.38 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 65.9 mm-40 -58.14 -54.86 42.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.4 t70 -58.99 -45.69 89.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASP . 22.9 tp -37.62 -57.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -46.8 -48.46 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -52.45 -45.45 66.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -52.03 141.45 29.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.468 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.2 Cg_endo -69.67 165.15 31.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.7 tp -51.51 -30.46 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -67.7 -30.22 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -115.03 12.82 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.555 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -76.34 -56.55 1.5 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 -55.91 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.284 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.5 p -40.56 -36.89 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.4 tpp180 -77.89 -47.03 19.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 62' ' ' VAL . 38.1 t -32.84 -68.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.43 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 16.3 pt20 -55.78 -47.9 76.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 5.9 mm-40 -49.26 -62.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.7 mt -49.62 -41.15 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.526 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.74 -19.69 61.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.924 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 25.0 mt-30 -92.45 -2.51 56.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.531 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 22.0 tt0 -98.97 -45.22 6.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD2' ' CB ' ' A' ' 80' ' ' SER . 0.8 OUTLIER -118.02 -40.98 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.526 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 31.6 mt -82.14 17.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.924 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.14 151.18 46.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -53.19 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -91.42 53.29 3.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 72' ' ' GLU . . . -123.31 155.18 65.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.78 -52.3 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.578 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 11.7 m -85.22 18.01 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.87 104.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 80' ' ' SER . 31.9 pt -91.47 -178.01 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -127.58 131.18 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -122.5 153.4 39.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -58.63 145.68 38.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -47.9 -39.53 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -68.37 -60.51 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 m -52.92 -57.13 11.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -46.53 -56.75 5.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -44.23 -50.78 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -59.32 -55.89 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 96' ' ' VAL . 89.5 m -50.89 -62.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 m -41.44 -40.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -72.37 -43.26 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -60.5 -43.85 96.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 97' ' ' LYS . 83.5 t -41.62 -42.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 96' ' ' VAL . 9.3 mptt -32.1 -49.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 98' ' ' GLU . 2.0 pp20? -110.33 112.24 57.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 127.67 14.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.01 -138.87 3.28 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -117.97 -34.58 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -104.09 17.29 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.0 m -54.41 -46.44 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -99.93 17.86 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.89 -42.7 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -64.91 -64.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.9 -46.84 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.491 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 51.8 tt0 -51.58 -38.59 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.492 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 26.2 tt0 -71.46 -46.22 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -53.03 -55.37 24.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.518 HG22 ' CE ' ' A' ' 115' ' ' MET . 47.8 mm -60.18 -42.78 91.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 3.4 t80 -55.61 -56.14 23.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.502 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.0 mtmp? -56.1 -13.59 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.591 HD11 ' OD2' ' A' ' 118' ' ' ASP . 1.9 tp -94.89 -69.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.518 ' CE ' HG22 ' A' ' 111' ' ' ILE . 62.0 mtm -42.92 -36.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 117' ' ' SER . 13.9 ptmt -48.79 -50.22 35.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.52 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 33.7 t -117.94 15.94 14.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.591 ' OD2' HD11 ' A' ' 114' ' ' LEU . 11.2 t70 -105.28 -59.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.563 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 12.1 p -94.75 -54.54 3.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.81 ' O ' HD12 ' A' ' 124' ' ' ILE . 2.9 t80 -35.22 -49.86 1.21 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.659 0.742 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.563 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.9 Cg_exo -47.94 -55.86 3.63 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.718 2.278 . . . . 0.0 112.375 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.463 HH11 ' HD2' ' A' ' 122' ' ' ARG . 10.8 mmt180 -56.79 -42.56 79.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 32' ' ' PHE . 7.8 t80 -45.73 -47.96 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.81 HD12 ' O ' ' A' ' 120' ' ' TYR . 5.2 mp -59.29 -43.61 90.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.07 -42.36 89.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.6 t -60.05 142.61 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 128' ' ' ALA . 8.7 t -64.26 -39.53 94.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.45 -40.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.445 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 3.4 t80 -76.79 -45.98 26.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -59.9 -55.62 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 132' ' ' LEU . 7.9 pt-20 -40.19 -42.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.566 ' HB3' HG21 ' A' ' 12' ' ' VAL . 32.5 mt -58.9 -50.81 72.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.45 ' O ' ' CD ' ' A' ' 9' ' ' GLN . 11.4 mt -58.38 -61.2 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.2 t -53.97 -52.87 59.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 84.28 82.59 1.0 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -9.05 25.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 53.4 p -57.03 150.03 17.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 30.4 t -85.01 138.0 32.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -145.76 165.31 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -88.66 -60.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.61 140.48 3.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -100.34 -37.96 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.905 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -77.69 154.24 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.0 63.94 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.797 ' O ' HG23 ' A' ' 12' ' ' VAL . 50.2 m -110.55 -37.95 5.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -51.52 -55.97 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -55.45 -49.93 71.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 11' ' ' ARG . 35.6 ttp180 -57.62 -35.63 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 8' ' ' SER . 77.6 t -59.67 -61.1 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' TRP . 2.5 ttpm? -50.49 -47.61 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' LYS . 13.7 mmt-85 -37.02 -32.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 11.3 m0 -66.4 -51.06 60.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -43.12 -19.52 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' TRP . 90.2 m-85 -76.44 13.71 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.383 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.54 161.44 11.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.543 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.538 ' HA ' ' CE1' ' A' ' 120' ' ' TYR . 26.7 ttp -61.62 -44.09 97.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -37.87 -42.31 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -70.52 -40.77 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' MET . . . -67.43 -35.97 80.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.946 HD13 ' CH2' ' A' ' 48' ' ' TRP . 58.5 mt -65.8 -53.53 39.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 10.8 pttt -51.82 -30.37 23.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.489 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 38.2 m-20 -96.18 143.68 26.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 0.0 110.849 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.78 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.629 2.219 . . . . 0.0 112.377 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 94.7 t -62.71 -61.91 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.99 -30.14 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 26' ' ' PRO . 6.8 mtp-105 -65.06 -49.94 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 10.7 pt-20 -69.58 -44.62 70.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 19.1 mm100 -50.9 -60.75 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 35.9 t80 -54.64 -40.55 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' LYS . 2.5 tp -58.49 -55.48 34.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LEU . 39.0 mttt -36.77 -61.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -49.05 -51.08 33.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 8.0 mp -51.46 -57.68 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -40.67 -46.56 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -56.97 -48.04 79.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.615 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.8 pt-20 -83.61 15.7 3.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.615 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER 50.75 45.7 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.1 m -118.01 -18.55 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.401 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 24.5 p -41.96 -34.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -46.2 -41.86 13.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -57.93 -54.15 50.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' TRP . 60.2 tp -67.79 -58.28 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LEU . 6.5 mtp-105 -34.4 -41.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.508 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 10.6 t80 -70.61 -46.64 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.946 ' CH2' HD13 ' A' ' 23' ' ' LEU . 55.0 t90 -50.42 -58.15 6.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.36 -45.08 84.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.61 -41.22 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.33 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.25 -46.83 82.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' LEU . 8.1 m-20 -72.73 -41.11 65.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' ASP . 28.7 tp -36.78 -66.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 0.6 OUTLIER -51.54 -42.13 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -58.9 -37.18 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' NH1' ' HD3' ' A' ' 65' ' ' ARG . 17.9 mmt85 -53.45 149.44 14.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.587 ' O ' HG23 ' A' ' 62' ' ' VAL . 52.9 Cg_endo -69.82 161.71 44.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.929 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -52.23 -36.34 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -66.47 -28.91 68.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -115.35 14.64 16.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -78.94 -58.34 0.71 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.77 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -48.06 -37.3 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' VAL . 7.4 tpt180 -75.42 -45.65 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.506 HG21 ' HA ' ' A' ' 99' ' ' PRO . 17.2 t -33.45 -61.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 13.5 pt20 -60.78 -49.88 75.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 60.6 mm-40 -44.35 -62.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.7 mt -48.96 -43.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.681 ' CE3' HG21 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -71.16 -19.57 62.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.926 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 36.3 mt-30 -93.74 -2.61 53.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.1 tp10 -97.37 -47.65 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -117.98 -37.96 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 70' ' ' TRP . 21.1 mt -83.54 17.99 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.926 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.1 149.55 43.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -53.2 0.28 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.57 43.74 3.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -114.51 154.98 46.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.548 0.69 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.3 Cg_endo -69.78 -51.73 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' CD2' ' A' ' 73' ' ' PHE . 5.8 m -86.0 17.98 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 73' ' ' PHE . . . -45.85 107.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' A' ' 73' ' ' PHE . 11.5 pt -91.95 -178.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -129.54 136.89 50.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 111' ' ' ILE . 36.8 mt -130.45 171.38 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -70.39 167.72 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.5 t -67.6 -43.98 79.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -70.03 -42.76 72.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.3 m -68.28 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -42.62 -53.85 4.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -49.53 -61.96 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -44.89 -49.15 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 96' ' ' VAL . 92.6 m -60.58 -59.24 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.421 HG23 ' CH2' ' A' ' 70' ' ' TRP . 22.9 m -38.19 -45.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -70.86 -48.65 52.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.567 ' HB3' HG23 ' A' ' 103' ' ' THR . 23.8 m-20 -53.39 -40.65 65.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.681 HG21 ' CE3' ' A' ' 70' ' ' TRP . 91.8 t -44.51 -56.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.486 ' N ' ' HE2' ' A' ' 97' ' ' LYS . 0.6 OUTLIER -34.94 -36.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' VAL . 13.6 mt-10 -95.37 106.14 24.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.678 0.751 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.506 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.4 Cg_endo -69.81 114.03 3.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.88 -150.85 5.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.478 ' HB3' ' CB ' ' A' ' 55' ' ' LYS . 41.3 mtm180 -116.09 -37.0 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 105' ' ' GLU . 11.8 m-85 -109.7 17.81 20.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.567 HG23 ' HB3' ' A' ' 95' ' ' ASN . 88.6 m -54.78 -33.42 61.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -98.92 18.01 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 56.9 tt0 -52.74 -53.46 47.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -53.67 -60.83 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 110' ' ' HIS . . . -46.97 -60.14 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.52 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 60.1 tt0 -39.82 -39.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -72.66 -40.97 65.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' ALA . 19.9 t60 -57.99 -52.46 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.461 HD11 HD21 ' A' ' 84' ' ' LEU . 29.1 mm -62.26 -42.51 95.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 6.1 t80 -54.42 -57.49 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 44.6 mtmt -55.89 -16.38 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.549 HD11 ' OD1' ' A' ' 118' ' ' ASP . 0.6 OUTLIER -90.85 -72.75 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.465 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 35.3 mtm -41.02 -43.64 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.9 ptmt -42.05 -46.64 4.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.506 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 32.3 t -117.18 17.51 14.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.549 ' OD1' HD11 ' A' ' 114' ' ' LEU . 1.3 t70 -98.55 -64.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.565 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -97.93 -52.51 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -32.9 -50.78 0.63 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.945 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.8 Cg_exo -48.01 -59.85 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mtp-105 -68.07 -43.85 77.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.2 -48.95 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 53.4 mt -56.44 -43.72 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.17 -41.46 98.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.5 t -59.64 136.98 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' ALA . 32.7 t -53.11 -35.46 59.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.05 -42.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -68.72 -49.78 56.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' GLU . 39.1 mm-40 -59.9 -38.55 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' GLN . 6.7 mm-40 -35.19 -45.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.543 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.4 mm? -68.63 -50.1 54.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.59 -59.64 4.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.1 t -55.2 -43.52 74.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 136.26 134.72 3.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -33.82 15.83 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.2 p -89.8 -47.68 7.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 56.2 m -88.23 163.62 16.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -139.18 144.69 38.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -52.15 -47.78 65.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.3 -98.88 0.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 m -139.5 135.64 33.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.864 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.4 p -46.24 -47.11 18.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.06 68.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -49.12 73.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.763 0.316 . . . . 0.0 110.865 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -42.61 -43.59 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -66.46 -44.6 82.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -51.95 -45.54 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 15' ' ' TRP . 81.3 t -50.15 -59.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -40.33 -40.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -51.8 -42.33 62.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 12' ' ' VAL . 5.8 m0 -57.91 -21.76 45.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.83 34.94 1.64 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.553 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -141.48 102.39 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.59 -166.85 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' ASP . 8.5 ttp -92.02 -44.26 8.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.77 0.319 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' MET . 2.0 m-20 -36.64 -51.15 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.4 -61.29 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.42 -41.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.514 HD13 ' CH2' ' A' ' 48' ' ' TRP . 8.1 mt -71.07 -50.61 31.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' LEU . 6.6 mtpm? -36.09 -62.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.97 143.65 96.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -50.1 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.7 -43.09 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.38 -26.82 59.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -69.07 -47.24 65.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.743 0.306 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 7.9 pt-20 -73.04 -46.92 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 40.4 mm-40 -54.84 -57.69 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 49.7 t80 -55.3 -39.01 69.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 36' ' ' LEU . 1.1 tp -60.5 -57.09 14.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . 51.3 mttt -34.46 -60.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -46.44 -43.6 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 33' ' ' LEU . 56.8 mt -55.24 -60.72 3.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' OE2' ' NH2' ' A' ' 46' ' ' ARG . 62.5 mt-10 -36.86 -41.65 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -57.77 -56.61 19.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -74.29 4.56 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 52.39 44.23 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.442 ' O ' ' OD1' ' A' ' 44' ' ' ASN . 67.3 m -116.91 -24.22 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 43' ' ' GLU . 19.6 p -41.41 -31.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' HG3' HG22 ' A' ' 82' ' ' ILE . 5.4 pt-20 -33.29 -38.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.481 ' HB2' ' CG2' ' A' ' 111' ' ' ILE . 0.8 OUTLIER -72.62 -58.53 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -49.51 -46.37 48.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' NH2' ' OE2' ' A' ' 37' ' ' GLU . 15.5 mmt180 -46.49 -59.42 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.588 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 3.3 t80 -58.46 -44.81 89.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.514 ' CH2' HD13 ' A' ' 23' ' ' LEU . 69.0 t90 -49.91 -49.33 50.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.3 -44.85 74.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.96 -41.82 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' GLU . 60.8 t -58.74 -60.52 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' VAL . 59.1 mm-40 -37.0 -51.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -62.86 -52.35 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 63.6 tp -33.03 -49.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HB2' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -59.59 -47.86 83.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 20.2 mmmt -64.62 -35.63 81.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.28 147.52 13.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.419 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.7 158.73 56.01 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.5 tp -52.42 -34.45 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -64.15 -30.67 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -111.6 13.3 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.51 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.92 -58.58 2.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.7 Cg_endo -69.78 -52.4 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.4 m -43.28 -34.45 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 4.5 tpt180 -79.77 -46.63 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 99' ' ' PRO . 36.1 t -33.74 -64.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 21.4 pt20 -61.79 -47.53 84.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 40.0 mm-40 -44.95 -63.53 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.5 mt -49.19 -40.83 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.609 ' CE3' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.65 -16.54 59.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.901 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 29.1 mt-30 -92.69 -1.95 56.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' HG2' ' A' ' 79' ' ' PRO . 8.4 tp10 -112.99 -35.4 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 18.2 m-85 -115.22 -49.46 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB3' ' CE3' ' A' ' 70' ' ' TRP . 52.8 mt -84.03 17.96 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.901 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -116.26 142.65 29.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 111.165 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.34 69.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.312 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.36 6.72 8.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.449 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -73.92 158.56 85.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.529 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.5 Cg_endo -69.75 -49.55 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.501 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 9.8 m -99.71 17.53 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.763 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -46.38 102.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.531 HG22 ' HG3' ' A' ' 43' ' ' GLU . 32.7 pt -80.55 179.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.07 130.67 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mt -129.79 158.34 39.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.412 ' OD2' ' CE1' ' A' ' 110' ' ' HIS . 1.6 m-20 -57.84 165.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.8 t -66.39 -46.05 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -64.71 -41.66 95.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -70.36 -53.12 17.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -56.89 -50.51 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.59 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 3.2 m-20 -50.27 -54.61 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -54.02 -61.41 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 96' ' ' VAL . 94.4 m -42.53 -55.74 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 m -48.66 -59.29 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 90' ' ' ASP . 91.5 m-70 -49.11 -30.34 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.78 ' HB3' HG23 ' A' ' 103' ' ' THR . 38.3 m-20 -84.74 -34.9 22.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.545 HG21 ' CE3' ' A' ' 70' ' ' TRP . 52.2 t -40.87 -65.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -33.01 -36.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 96' ' ' VAL . 5.1 mm-40 -93.52 107.12 24.25 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.696 0.76 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.491 ' HA ' HG21 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.81 119.76 6.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.27 -153.39 5.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -116.01 -32.68 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -110.08 17.98 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 95' ' ' ASN . 77.6 m -56.13 -40.1 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -99.34 17.26 20.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -52.93 -61.43 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -46.93 -55.48 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.99 -51.98 37.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -44.44 -37.32 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.457 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 15.2 tt0 -71.23 -49.03 47.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.412 ' CE1' ' OD2' ' A' ' 85' ' ' ASP . 9.2 t60 -49.0 -48.62 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 44' ' ' ASN . 45.7 mm -66.94 -40.9 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 2.3 t80 -55.31 -51.75 65.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.497 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 6.2 mtmp? -62.43 -10.93 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.587 HD11 ' OD2' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -94.83 -64.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 38.1 mtm -51.09 -30.29 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 117' ' ' SER . 12.7 ptmt -55.56 -45.28 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.5 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 1.9 t -116.11 17.82 15.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.587 ' OD2' HD11 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -106.35 -62.84 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.564 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 74.7 m -95.6 -54.47 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.604 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 17.5 t80 -34.91 -49.98 1.08 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.654 0.74 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.604 ' HD3' ' HB3' ' A' ' 120' ' ' TYR . 66.2 Cg_exo -48.03 -63.18 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 125' ' ' ARG . 60.7 mtt180 -57.76 -48.55 79.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 73.6 t80 -40.76 -47.51 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 51.0 mm -58.96 -36.93 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.5 ' HD2' ' N ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -75.56 -42.4 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.6 t -55.21 155.41 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.3 m -83.14 -33.73 26.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -36.61 -41.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 123' ' ' PHE . 8.8 t80 -67.56 -50.13 59.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 131' ' ' GLU . 33.4 mm-40 -59.35 -36.95 76.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 130' ' ' GLN . 13.1 mm-40 -36.95 -51.97 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.807 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.7 mm? -64.76 -48.64 73.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.1 mt -43.56 -58.43 2.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.7 t -69.85 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 108.97 -100.85 1.43 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 122.63 9.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.26 . . . . 0.0 112.309 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.6 p -47.69 -47.76 29.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.7 p -88.84 -47.45 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.538 -179.932 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -94.95 -56.25 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -81.68 -56.13 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.43 87.98 0.78 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -68.81 127.76 34.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -93.86 -43.94 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.45 46.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.3 m -59.31 -46.13 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -46.42 -49.65 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -60.6 -43.69 97.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -56.75 -49.39 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.95 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 99.5 t -48.32 -59.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' TRP . 3.2 ttpm? -44.24 -45.88 8.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.455 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 7.6 tpt85 -37.58 -31.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.95 ' CZ3' HG13 ' A' ' 12' ' ' VAL . 4.1 m0 -73.38 -56.72 4.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' TRP . . . -36.54 -34.97 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 14' ' ' ARG . 59.1 m-85 -46.7 -44.9 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.606 ' HA2' ' CE1' ' A' ' 120' ' ' TYR . . . 176.38 156.37 15.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' ASP . 28.8 ttp -48.58 -59.77 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' MET . 10.0 m-20 -32.11 -39.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' MET . 5.8 mm-40 -80.62 -59.28 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -43.95 -36.54 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.71 HD13 ' CH2' ' A' ' 48' ' ' TRP . 46.9 mt -64.59 -56.65 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 2.1 pttt -39.08 -36.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.496 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 13.5 t70 -87.93 140.94 31.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.848 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 25' ' ' ASP . 53.9 Cg_endo -69.77 -46.69 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.79 -47.26 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.61 -28.06 64.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -66.13 -47.95 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.05 -41.19 62.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -56.97 -58.28 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HA ' ' CE1' ' A' ' 123' ' ' PHE . 50.9 t80 -53.4 -36.49 61.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' LYS . 1.2 tp -62.65 -57.46 10.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 36.4 mttm -36.97 -57.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 32.6 t80 -49.33 -54.72 15.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 32' ' ' PHE . 58.2 mt -47.73 -55.84 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' LEU . 18.7 mt-10 -34.3 -42.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 35' ' ' PHE . 15.2 t -57.69 -55.49 34.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.6 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.3 pm0 -80.11 17.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER 49.68 32.37 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 t -105.17 -14.39 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.505 ' N ' ' HB3' ' A' ' 36' ' ' LEU . 86.1 p -42.02 -38.55 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -50.89 -41.41 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.529 ' O ' HG21 ' A' ' 111' ' ' ILE . 45.9 m-20 -49.02 -51.43 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 46' ' ' ARG . 15.5 tp -77.25 -45.75 25.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 8.5 mmm180 -37.32 -61.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 51' ' ' VAL . 5.8 t80 -52.18 -46.17 65.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.71 ' CH2' HD13 ' A' ' 23' ' ' LEU . 16.6 t90 -52.11 -60.02 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.5 mt -55.34 -45.56 76.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.72 -42.37 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 47' ' ' PHE . 90.0 t -70.21 -56.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.431 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 5.7 mm-40 -44.13 -44.41 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.3 t70 -80.56 -42.61 22.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' ' 65' ' ' ARG . 23.4 tp -34.48 -63.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -46.7 -45.59 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 32.3 mmtp -51.73 -42.8 62.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 4.9 mmp_? -51.94 153.31 4.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.675 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 166.09 28.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.05 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.67 -29.87 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -69.39 -30.77 68.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -113.14 11.87 18.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 58' ' ' PRO . 2.1 t -76.46 -58.96 1.1 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.503 ' N ' HG12 ' A' ' 62' ' ' VAL . 53.8 Cg_endo -69.73 -50.65 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.6 m -44.99 -38.68 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HB3' HD13 ' A' ' 54' ' ' LEU . 3.0 tpt180 -78.2 -45.36 23.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 62' ' ' VAL . 25.1 t -34.62 -63.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 12.2 pt20 -59.6 -52.83 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 7.5 mm-40 -41.79 -58.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.0 mt -51.3 -50.02 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.692 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.59 -12.67 61.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.899 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 27.9 mt-30 -94.39 -3.68 49.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -115.31 -37.89 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 30.0 m-85 -111.65 -46.32 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.692 HD12 ' HB2' ' A' ' 70' ' ' TRP . 19.8 mt -89.76 21.63 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -118.07 142.83 31.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 111.102 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 153.37 68.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.33 13.23 9.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.874 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -78.9 157.5 76.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 53.9 Cg_endo -69.72 -42.21 3.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.5 p -108.0 17.94 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.874 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . . . -49.76 109.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.6 pt -83.41 -179.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -128.59 139.78 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.5 mt -134.68 175.97 9.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.467 ' HB2' ' CE1' ' A' ' 110' ' ' HIS . 7.4 t0 -73.7 164.38 26.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -65.15 -42.36 93.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -71.37 -42.88 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -65.86 -58.28 5.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -45.4 -47.64 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.96 -52.02 53.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -53.55 -49.47 67.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.603 HG21 HD13 ' A' ' 74' ' ' LEU . 72.6 m -58.1 -65.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.1 m -37.83 -56.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -59.9 -46.42 89.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.558 ' CG ' HG23 ' A' ' 103' ' ' THR . 7.4 t-20 -56.52 -40.41 74.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 92' ' ' THR . 65.7 t -44.4 -44.56 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 96' ' ' VAL . 2.6 mptm? -33.45 -49.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -112.23 114.13 51.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.92 13.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.54 -141.62 3.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -117.43 -35.16 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -109.05 17.96 21.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.558 HG23 ' CG ' ' A' ' 95' ' ' ASN . 52.9 m -56.07 -37.02 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -99.95 17.25 21.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.36 -53.62 42.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -51.47 -65.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.61 -51.33 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.452 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 52.3 tt0 -49.86 -39.0 37.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.413 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 25.3 tt0 -73.94 -44.18 55.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.467 ' CE1' ' HB2' ' A' ' 85' ' ' ASP . 64.0 t60 -53.75 -47.54 70.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 44' ' ' ASN . 48.0 mm -67.14 -49.12 75.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 69.2 t80 -44.78 -62.21 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 18.1 mtmt -48.52 -36.49 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 118' ' ' ASP . 2.0 tp -66.44 -65.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 116' ' ' LYS . 69.4 mtm -43.98 -41.02 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 120' ' ' TYR . 25.3 mtpt -33.63 -67.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 17.3 t -114.25 18.01 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 114' ' ' LEU . 28.9 t70 -97.97 -68.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.547 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 3.0 p -92.76 -48.48 6.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.656 ' CZ ' HD11 ' A' ' 124' ' ' ILE . 3.4 t80 -36.18 -49.62 1.68 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.547 ' HD2' ' C ' ' A' ' 119' ' ' SER . 66.5 Cg_exo -48.06 -56.4 3.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 125' ' ' ARG . 22.6 mmm-85 -55.12 -52.55 62.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.581 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 42.6 t80 -36.2 -53.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.656 HD11 ' CZ ' ' A' ' 120' ' ' TYR . 82.1 mt -61.6 -41.24 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 122' ' ' ARG . 19.3 mmm180 -58.27 -49.58 76.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 m -60.59 175.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 128' ' ' ALA . 21.8 m -94.37 -29.81 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -36.69 -40.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -73.26 -48.87 31.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -57.92 -34.87 70.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -38.75 -64.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.808 ' H ' HD22 ' A' ' 132' ' ' LEU . 1.3 mm? -48.0 -52.87 18.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.7 mt -48.06 -58.23 4.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.6 t -57.48 -47.36 82.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 46.18 64.94 2.27 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.54 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 51.5 m -141.9 173.08 11.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.9 t -105.75 128.38 53.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t 52.12 42.76 30.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 0.0 110.859 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -114.87 174.3 6.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.59 -33.8 12.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -81.37 15.59 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -61.41 -47.45 85.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.09 110.34 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m -104.09 -37.93 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' OE1' ' NE2' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -47.16 -57.69 4.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' CD ' ' H ' ' A' ' 10' ' ' GLN . 2.0 mp0 -50.94 -36.44 38.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -72.38 -40.41 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.583 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 82.7 t -57.83 -60.46 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . 20.8 tptm -40.91 -43.31 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -45.58 -41.61 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.583 ' CZ3' HG22 ' A' ' 12' ' ' VAL . 3.7 m0 -65.97 -29.25 69.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -77.9 33.27 1.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -117.94 -34.06 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.94 148.37 5.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.4 ttp -38.3 -50.32 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -40.27 -51.97 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.23 -59.39 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.85 -42.87 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.583 HD13 ' CZ3' ' A' ' 48' ' ' TRP . 18.0 mt -65.62 -47.15 76.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -44.92 -51.59 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.93 142.1 72.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.652 0.739 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.254 . . . . 0.0 112.305 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.1 t -65.75 -39.76 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.87 -25.65 67.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.404 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 11.8 mtm180 -68.57 -48.25 64.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 31' ' ' GLN . 9.1 pt-20 -71.9 -44.19 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 30' ' ' GLU . 46.7 mm-40 -52.7 -59.89 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -53.77 -36.58 62.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.52 -54.65 36.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -39.57 -54.32 2.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 123' ' ' PHE . 55.0 t80 -51.29 -44.52 61.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 119' ' ' SER . 60.6 mt -55.69 -55.58 30.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -38.66 -46.66 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -54.28 -55.76 25.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.614 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 11.2 pt-20 -81.28 15.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.614 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 50.55 40.3 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.4 m -117.8 17.29 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.1 p -68.5 -42.65 78.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' ASN . 56.1 mt-10 -40.83 -58.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' GLU . 28.1 m-20 -35.92 -58.63 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 46' ' ' ARG . 44.1 tp -69.63 -56.84 6.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 45' ' ' LEU . 16.8 mtp85 -36.85 -44.81 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.492 ' HB2' ' CG ' ' A' ' 73' ' ' PHE . 4.5 t80 -65.34 -56.85 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.583 ' CZ3' HD13 ' A' ' 23' ' ' LEU . 10.5 t90 -43.33 -54.59 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.4 mt -53.94 -46.34 71.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.11 -45.23 32.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.46 ' HB ' ' NE2' ' A' ' 108' ' ' GLN . 87.4 t -64.67 -50.65 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -44.26 -40.48 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -82.22 -39.59 22.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 69' ' ' ILE . 48.3 tp -36.63 -65.14 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -51.66 -40.25 59.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -61.52 -39.14 89.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 30.0 mmt180 -53.08 148.24 15.13 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.84 160.13 50.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 tp -51.19 -31.82 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -67.57 -30.09 69.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -115.46 10.61 15.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.516 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.1 t -72.12 -58.33 3.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.652 0.739 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 62' ' ' VAL . 53.9 Cg_endo -69.76 -51.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 m -45.27 -34.22 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.5 tpt180 -80.71 -40.56 25.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 62' ' ' VAL . 38.1 t -36.3 -67.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 19.4 pt20 -57.02 -47.06 81.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLN . 61.9 mm-40 -48.88 -68.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.441 ' CD1' HD13 ' A' ' 54' ' ' LEU . 18.2 mt -43.09 -38.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.61 ' CH2' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -75.35 -31.27 60.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.945 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 41.1 mt-30 -82.18 -2.73 53.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 23.4 tt0 -95.89 -52.96 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.687 ' HB3' HG23 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -111.79 -38.19 4.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 104' ' ' PHE . 49.8 mt -82.89 17.99 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.945 ' HB2' ' HA ' ' A' ' 71' ' ' GLN . . . -114.75 144.77 32.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 111.088 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.07 38.91 3.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.643 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -108.28 158.02 34.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 78' ' ' ALA . 54.2 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.383 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.63 ' HB3' ' CD2' ' A' ' 73' ' ' PHE . 5.6 m -92.78 17.98 9.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 73' ' ' PHE . . . -47.39 109.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.687 HG23 ' HB3' ' A' ' 73' ' ' PHE . 6.9 pt -91.06 -177.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -126.1 118.35 25.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.3 mt -113.34 159.31 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.16 176.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.0 p -76.04 -38.23 57.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -74.88 -56.04 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 t -53.63 -52.89 58.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.05 -47.13 84.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -57.33 -51.62 68.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -60.94 -45.45 94.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' THR . 91.9 m -62.77 -63.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.61 HG23 ' CH2' ' A' ' 70' ' ' TRP . 58.8 m -34.68 -54.98 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -60.89 -55.26 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -46.95 -44.44 20.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.655 HG22 ' CE1' ' A' ' 104' ' ' PHE . 92.1 t -42.19 -43.13 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' VAL . 22.0 mmtt -35.31 -42.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -104.38 114.74 63.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 129.72 18.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.23 -147.68 4.65 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -115.4 -37.32 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -109.44 17.42 21.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.7 m -53.91 -42.33 68.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.655 ' CE1' HG22 ' A' ' 96' ' ' VAL . 87.3 m-85 -95.53 17.91 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -51.61 -57.32 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.03 -64.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.02 -42.6 60.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.46 ' NE2' ' HB ' ' A' ' 51' ' ' VAL . 6.3 tp60 -56.61 -42.61 79.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.414 ' HG2' ' CE ' ' A' ' 113' ' ' LYS . 14.5 tt0 -68.62 -42.84 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -51.88 -60.17 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 46.2 mm -55.13 -44.33 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 5.4 t80 -52.99 -57.85 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.428 ' HA ' ' CD ' ' A' ' 116' ' ' LYS . 7.5 mtmp? -55.91 -16.29 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.511 ' HG ' ' CB ' ' A' ' 118' ' ' ASP . 2.2 tp -92.72 -68.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.418 ' HA ' ' HB3' ' A' ' 118' ' ' ASP . 61.2 mtm -41.94 -39.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 117' ' ' SER . 7.0 ptmm? -48.64 -50.14 34.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.525 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 2.8 m -117.34 17.6 14.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.511 ' CB ' ' HG ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -102.65 -60.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.574 ' C ' ' HD2' ' A' ' 121' ' ' PRO . 18.0 m -96.87 -54.17 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.554 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -33.99 -50.07 0.86 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.574 ' HD2' ' C ' ' A' ' 119' ' ' SER . 64.5 Cg_exo -47.97 -63.44 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.353 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 125' ' ' ARG . 26.6 mtt180 -55.12 -50.22 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.476 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 29.7 t80 -38.94 -41.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 42.1 mm -70.48 -37.47 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 122' ' ' ARG . 11.1 mmt180 -57.12 -54.59 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 t -53.43 163.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' GLN . 3.5 m -83.11 -36.34 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -35.86 -47.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.24 -44.62 91.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' SER . 41.5 mm-40 -60.58 -41.67 95.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.17 -56.16 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 20.1 mt -51.91 -50.51 60.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.5 mt -47.3 -70.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 134' ' ' SER . 12.5 t 62.61 32.0 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -135.73 77.89 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 84.83 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.682 2.254 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 34.9 t -145.66 126.94 14.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.7 t -57.17 -44.58 83.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.995 . . . . . . . . 0 0 . 1 stop_ save_